MassBank Record: KO003354

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alpha-Methylserine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003354
RECORD_TITLE: alpha-Methylserine; LC-ESI-QQ; MS2; CE:30 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: 119.0582399999999978490450303070247173309326171875
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: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N
CH$LINK: KEGG C02115
CH$LINK: PUBCHEM SID:5195

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 30 V

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

PK$SPLASH: splash10-05fr-9000000000-8bbfdc8b1e4b83ea7039
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.700 49505.0 18
  43.300 39604.0 15
  44.800 24752.5 9
  46.100 84158.5 31
  56.200 1940596.0 719
  57.200 712872.0 264
  60.300 84158.5 31
  70.000 123762.5 46
  74.000 2698022.5 999
  81.300 24752.5 9
  85.100 49505.0 18
  88.100 84158.5 31
  102.300 39604.0 15
//