MassBank Record: KO003785

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O-Phosphoserine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003785
RECORD_TITLE: O-Phosphoserine; 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 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 30 V

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

PK$SPLASH: splash10-00kr-9000000000-25381bf668ede8881af0
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  41.900 212871.5 60
  43.300 39604.0 11
  44.900 19802.0 6
  46.200 44554.5 13
  57.300 49505.0 14
  58.700 19802.0 6
  67.100 74257.5 21
  69.900 3163369.5 888
  70.800 59406.0 17
  77.100 64356.5 18
  81.300 212871.5 60
  85.000 54455.5 15
  88.100 3559409.5 999
  89.800 14851.5 4
  91.200 202970.5 57
  93.000 391089.5 110
  95.200 103960.5 29
  98.400 34653.5 10
  104.900 99010.0 28
  107.000 198020.0 56
  109.100 128713.0 36
  123.000 84158.5 24
  133.200 69307.0 19
  149.900 79208.0 22
  171.000 24752.5 7
  186.400 24752.5 7
//