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brleeflang / eurocarb

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GPF reference data needs updating #9

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
as below. 

we have some new settings for the EUROCarbDB webversion of  
Glyco-Peakfinder. To install them you have to increase the length of  
abbr in table glycopeakfinder.lipid_fatty_acid to 5 and to submit the  
following SQL statements.

Thanks
  Kai & René

INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (27,  
'Hydroxy-Buttersaeure', 104.0473438, 104.0904638, 'h4:0',  
'hydroxy-butyric acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (28,  
'Hydroxy-Kapronsaeure', 132.0786438, 132.1433238, 'h6:0',  
'hydroxy-caproic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (29,  
'Hydroxy-Kaprylsaeure', 160.1099438, 160.1961838, 'h8:0',  
'hydroxy-caprylic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (30,  
'Hydroxy-Kaprinsaeure', 188.1412438, 188.2490438, 'h10:0',  
'hydroxy-capric acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (31,  
'Hydroxy-Laurinsaeure', 216.1725438, 216.3019038, 'h12:0',  
'hydroxy-lauric acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (32,  
'Hydroxy-Myristinsaeure', 244.2038438, 244.3547638, 'h14:0',  
'hydroxy-myristic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (33,  
'Hydroxy-Palmitinsaeure', 272.2351438, 272.4076238, 'h16:0',  
'hydroxy-palmitic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (34,  
'Hydroxy-Margarinsaeure', 286.2507938, 286.4340538, 'h17:0',  
'hydroxy-margaric acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (35,  
'Hydroxy-Stearinsaeure', 300.2664438, 300.4604838, 'h18:0',  
'hydroxy-stearic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (36,  
'Hydroxy-Arachinsaeure', 328.2977438, 328.5133438, 'h20:0',  
'hydroxy-arachidic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (37,  
'Hydroxy-Behensaeure', 356.3290438, 356.5662038, 'h22:0',  
'hydroxy-behenic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (38,  
'Hydroxy-Lignocerinsaeure', 384.3603438, 384.6190638, 'h24:0',  
'hydroxy-tetracosanoic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (39,  
'Hydroxy-Cerotinsaeure', 412.3916438, 412.6719238, 'h26:0',  
'hydroxy-cerotic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (40,  
'Hydroxy-Palmitoleinsaeure', 270.2194938, 270.3919738, 'h16:1',  
'hydroxy-palmitoleic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (41, 'Hydroxy-Oelsaeure',  
298.2507938, 298.4448338, 'h18:1', 'hydroxy-oleic acd');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (42,  
'Hydroxy-Elaidinsaeure', 298.2507938, 298.4448338, 'h18:1',  
'hydroxy-elaidic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (43,  
'Hydroxy-Vaccensaeure', 298.2507938, 298.4448338, 'h18:1',  
'hydroxy-octadecenoic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (44,  
'Hydroxy-Icosensaeure', 326.2820938, 326.4976938, 'h20:1',  
'hydroxy-eicosenoic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (45,  
'Hydroxy-Cetoleinsaeure', 354.3133938, 354.5505538, 'h22:1',  
'hydroxy-docosenoic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (46,  
'Hydroxy-Erucasaeure', 354.3133938, 354.5505538, 'h22:1',  
'hydroxy-erucic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (47,  
'Hydroxy-Nervonsaeure', 382.3446938, 382.6034138, 'h24:1',  
'hydroxy-nervonic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (48,  
'Hydroxy-Linolsaeure', 296.2351438, 296.4291838, 'h18:2',  
'hydroxy-linoleic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (49,  
'Hydroxy-Linolensaeure', 294.2194938, 294.4135338, 'h18:3',  
'hydroxy-linolenic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (50,  
'Hydroxy-Arachidonsaeure', 320.2351438, 320.4507438, 'h20:4',  
'hydroxy-arachidonic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (51,  
'Hydroxy-Timnodonsaeure', 318.2194938, 318.4350938, 'h20:5',  
'hydroxy-eicosapentanoic acid');
INSERT INTO glycopeakfinder.lipid_fatty_acid (fatty_acid_id, name,  
mass_mono, mass_avg, abbr, name_eng) VALUES (52,  
'Hydroxy-Clupanodonsaeure', 346.2507938, 346.4879538, 'h22:5',  
'hydroxy-clupanodonic acid');

INSERT INTO glycopeakfinder.lipid_sphingosin (sphingosin_id, name,  
mass_mono, mass_avg) VALUES (4, 'C20-Sphingosine', 327.3137282,  
327.547007);
INSERT INTO glycopeakfinder.lipid_sphingosin (sphingosin_id, name,  
mass_mono, mass_avg) VALUES (5, 'C20-Dihydrosphingosine', 329.3293782,  
329.562901);
INSERT INTO glycopeakfinder.lipid_sphingosin (sphingosin_id, name,  
mass_mono, mass_avg) VALUES (6, 'C20-Phytosphingosine', 345.3242928,  
345.562331);

INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (4, 'C', 20);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (4, 'H', 41);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (4, 'N', 1);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (4, 'O', 2);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (5, 'C', 20);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (5, 'H', 43);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (5, 'N', 1);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (5, 'O', 2);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (6, 'C', 20);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (6, 'H', 43);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (6, 'N', 1);
INSERT INTO glycopeakfinder.composition_sphingosin (sphingosin_id,  
periodic_symbol, quantity) VALUES (6, 'O', 3);

INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (27, 'C', 4);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (27, 'H', 8);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (27, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (28, 'C', 6);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (28, 'H', 12);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (28, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (29, 'C', 8);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (29, 'H', 16);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (29, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (30, 'C', 10);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (30, 'H', 20);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (30, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (31, 'C', 12);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (31, 'H', 24);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (31, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (32, 'C', 14);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (32, 'H', 28);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (32, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (33, 'C', 16);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (33, 'H', 32);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (33, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (34, 'C', 17);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (34, 'H', 34);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (34, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (35, 'C', 18);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (35, 'H', 36);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (35, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (36, 'C', 20);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (36, 'H', 40);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (36, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (37, 'C', 22);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (37, 'H', 44);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (37, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (38, 'C', 24);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (38, 'H', 48);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (38, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (39, 'C', 26);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (39, 'H', 52);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (39, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (40, 'C', 16);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (40, 'H', 30);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (40, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (41, 'C', 18);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (41, 'H', 34);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (41, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (42, 'C', 18);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (42, 'H', 34);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (42, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (43, 'C', 18);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (43, 'H', 34);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (43, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (44, 'C', 20);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (44, 'H', 38);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (44, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (45, 'C', 22);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (45, 'H', 42);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (46, 'C', 22);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (46, 'H', 42);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (46, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (47, 'C', 24);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (47, 'H', 46);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (47, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (48, 'C', 18);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (48, 'H', 32);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (48, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (49, 'C', 18);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (49, 'H', 30);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (49, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (45, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (50, 'C', 20);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (50, 'H', 32);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (50, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (51, 'C', 20);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (51, 'H', 30);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (51, 'O', 3);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (52, 'C', 22);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (52, 'H', 34);
INSERT INTO glycopeakfinder.composition_lipid_fatty_acid  
(fatty_acid_id, periodic_symbol, quantity) VALUES (52, 'O', 3);

Original issue reported on code.google.com by glycosl...@googlemail.com on 8 Jun 2009 at 10:46

GoogleCodeExporter commented 9 years ago 
done.

Original comment by glycosl...@googlemail.com on 29 Jun 2009 at 5:32