MassBank Record: KO003783

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O-Phosphoserine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003783
RECORD_TITLE: O-Phosphoserine; 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 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 10 V

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

PK$SPLASH: splash10-000i-3900000000-76c6900db1ecb22c9dc6
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  50.300 603961.0 37
  64.000 113861.5 7
  68.100 316832.0 19
  69.700 19802.0 1
  69.900 19802.0 1
  78.100 153465.5 9
  81.100 39604.0 2
  81.900 698020.5 42
  86.400 24752.5 2
  88.200 7594067.0 461
  92.900 257426.0 16
  94.900 29703.0 2
  96.400 24752.5 2
  99.200 24752.5 2
  100.000 14851.5 1
  103.300 34653.5 2
  107.200 445545.0 27
  109.100 54455.5 3
  118.900 44554.5 3
  123.300 470297.5 29
  125.700 19802.0 1
  131.700 84158.5 5
  133.000 821783.0 50
  137.200 34653.5 2
  139.700 19802.0 1
  150.100 361386.5 22
  151.100 2009903.0 122
  152.900 29703.0 2
  154.200 554456.0 34
  168.200 153465.5 9
  169.500 3608914.5 219
  186.100 16445561.0 999
//