MassBank Record: MSBNK-Keio_Univ-KO003356

alpha-Methylserine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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ACCESSION: MSBNK-Keio_Univ-KO003356
RECORD_TITLE: alpha-Methylserine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M025

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CH$NAME: a-Methylserine
CH$NAME: 2-Methylserine
CH$NAME: alpha-Methylserine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₉NO₃
CH$EXACT_MASS: 119.05824
CH$SMILES: OCC(C)(N)C(O)=O
CH$IUPAC: InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)
CH$LINK: CHEBI 17799
CH$LINK: KEGG C02115
CH$LINK: PUBCHEM SID:5195
CH$LINK: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N

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AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

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MS$FOCUSED_ION: PRECURSOR_M/Z 120
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

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PK$SPLASH: splash10-0a4i-9000000000-fe0c317b13d725fec063
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  42.100 54455.5 549
  56.100 99010.0 999
  57.100 59406.0 599
  58.800 14851.5 150
  74.000 34653.5 350
//