ACCESSION: MSBNK-RIKEN-PR100594
RECORD_TITLE: O-Phospho-L-serine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (Created 2010.06.21, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: O-Phospho-L-serine
CH$NAME: L-SOP
CH$NAME: Ser(P)
CH$NAME: 3-phosphoserine
CH$NAME: Dexfosfoserine
CH$NAME: L-2-Amino-3-hydroxypropanoic acid 3-phosphate
CH$NAME: L-Serine O-phosphate
CH$NAME: Plasmenylserine
CH$NAME: Serine phosphate
CH$COMPOUND_CLASS: Amino acids
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: CHEMSPIDER 62074
CH$LINK: KAPPAVIEW KPC00185
CH$LINK: KEGG C01005
CH$LINK: KNAPSACK C00007287
CH$LINK: PUBCHEM CID:68841
CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID1046348

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 184.00112
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-9000000000-f653dafdf17fa74b83a5
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  78.9598 20.81 469
  96.9693 44.34 999
  184.0011 3.896 88
//