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KO002066 and KO002063 #10

Closed schymane closed 6 years ago

schymane commented 6 years ago

External comment to massbankEU mail: I think that the following two data are mistakenly replaced. Could you confirm it? Thank you.

https://massbank.eu/MassBank/jsp/RecordDisplay.jsp?id=KO002063&dsn=Keio L-Aspartic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

https://massbank.eu/MassBank/jsp/RecordDisplay.jsp?id=KO002066&dsn=Keio L-Aspartic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

ES comment: I have asked for more detail; the CE10 spectrum looks more like CE40 and vice versa, but this is not entirely clear, esp with one high mass peak (noise?).

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schymane commented 6 years ago

Additional info from external comment: Collision Energy (CE) of KO002066 (CE = 40 V) is higher than that of KO002063 (CE = 10 V). However, the precursor ion intensity (m/z = 134) of KO002066 (CE = 40 V) was larger than that of KO002063 (CE = 10 V). I thought it was abnormal. As a result of comparing 5 data, I estimated that the following order is correct. KO002066 (CE = 10 V) KO002064 (CE = 20 V) KO002065 (CE = 30 V) KO002063 (CE = 40 V) KO002067 (CE = 50 V)

takaakin commented 6 years ago

Dear Emma-san,

Your estimations make sense. But I cannot confirm your estimation because these Keio's data are very old. I suppose that they were provided to MassBank more than ten years ago. I keep none of the original data.

One way to resolve this problem is to insert a COMMENT line showing your estimation in these Keio's data.

Best regards,

Takaaki   06/26/18 08:15 午後 に、Emma Schymanski notifications@github.com さんは書きました:

Additional info from external comment: Collision Energy (CE) of KO002066 (CE = 40 V) is higher than that of KO002063 (CE = 10 V). However, the precursor ion intensity (m/z = 134) of KO002066 (CE = 40 V) was larger than that of KO002063 (CE = 10 V). I thought it was abnormal. As a result of comparing 5 data, I estimated that the following order is correct. KO002066 (CE = 10 V) KO002064 (CE = 20 V) KO002065 (CE = 30 V) KO002063 (CE = 40 V) KO002067 (CE = 50 V)

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schymane commented 6 years ago

Dear Takaaki-san, Thank you for your thoughts, without being able to confirm in the raw data I think your suggestion to add a COMMENT entry is a good option and I will commit this shortly. Thank you! Emma