ACCESSION: MSBNK-Keio_Univ-KO003352
RECORD_TITLE: alpha-Methylserine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-00di-2900000000-e55030b85b1390b7e47e
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  50.100 29703.0 1
  55.400 39604.0 1
  57.200 34653.5 1
  67.300 9901.0 1
  68.900 69307.0 2
  70.200 168317.0 5
  70.400 9901.0 1
  73.800 8039612.0 227
  76.600 19802.0 1
  83.900 277228.0 8
  85.300 326733.0 9
  88.200 767327.5 22
  102.000 4118816.0 116
  102.900 1108912.0 31
  120.200 35401025.5 999
//