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MassBank Record: KO003353

alpha-Methylserine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003353
RECORD_TITLE: alpha-Methylserine; LC-ESI-QQ; MS2; CE:20 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

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

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 20 V

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

PK$SPLASH: splash10-00di-9100000000-a2e44945921f214c279c
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  46.100 54455.5 4
  56.000 1292080.5 88
  57.000 336634.0 23
  60.100 59406.0 4
  60.900 34653.5 2
  69.800 143564.5 10
  74.000 14737638.5 999
  84.300 1361387.5 92
  85.100 257426.0 17
  88.200 490099.5 33
  102.100 1504952.0 102
  102.900 143564.5 10
  120.100 500000.5 34
//

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