MassBank Record: KO003784

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O-Phosphoserine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003784
RECORD_TITLE: O-Phosphoserine; 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 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 20 V

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

PK$SPLASH: splash10-000i-9100000000-f86c85cff0432259c764
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  50.000 163366.5 15
  66.600 54455.5 5
  68.800 39604.0 4
  70.000 1059407.0 95
  76.200 19802.0 2
  80.800 178218.0 16
  84.900 54455.5 5
  85.400 24752.5 2
  88.200 11128724.0 999
  89.100 19802.0 2
  91.100 64356.5 6
  93.100 767327.5 69
  95.100 153465.5 14
  97.900 34653.5 3
  105.200 99010.0 9
  107.200 485149.0 44
  109.100 346535.0 31
  113.200 19802.0 2
  118.900 39604.0 4
  123.100 212871.5 19
  132.100 34653.5 3
  133.200 400990.5 36
  149.900 341584.5 31
  151.100 237624.0 21
  153.300 14851.5 1
  169.100 178218.0 16
  186.000 272277.5 24
//