MassBank Record: KO003786

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O-Phosphoserine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003786
RECORD_TITLE: O-Phosphoserine; LC-ESI-QQ; MS2; CE:40 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 P060

CH$NAME: O-Phosphoserine
CH$NAME: 3-Phosphoserine
CH$NAME: O-Phospho-L-serine
CH$NAME: L-O-Phosphoserine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H8NO6P
CH$EXACT_MASS: 185.00892
CH$SMILES: N[C@@H](COP(O)(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
CH$LINK: CAS 407-41-0
CH$LINK: CHEBI 15811
CH$LINK: KEGG C01005
CH$LINK: NIKKAJI J136.545B
CH$LINK: PUBCHEM SID:4251
CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID1046348

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 186
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-9000000000-63cde6935414b6893a5f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  42.200 341584.5 290
  55.000 34653.5 29
  57.100 34653.5 29
  67.200 64356.5 55
  70.100 1178219.0 999
  71.300 49505.0 42
  72.700 14851.5 13
  77.100 143564.5 122
  79.300 69307.0 59
  81.200 168317.0 143
  85.900 24752.5 21
  88.000 376238.0 319
  90.700 44554.5 38
  91.200 148515.0 126
  93.200 84158.5 71
  99.000 94059.5 80
  105.100 64356.5 55
  107.900 49505.0 42
  111.000 9901.0 8
//