MassBank Record: KO003690

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2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003690
RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P029

CH$NAME: 2-Phosphoglycerate
CH$NAME: D-Glycerate 2-phosphate
CH$NAME: 2-Phospho-D-glycerate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7O7P
CH$EXACT_MASS: 185.992940000000004374669515527784824371337890625
CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O
CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
CH$LINK: CHEBI 17835
CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N
CH$LINK: KEGG C00631
CH$LINK: PUBCHEM SID:3904

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$FOCUSED_ION: PRECURSOR_M/Z 187
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udr-0900000000-09027263f64d0e1059c6
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  50.400 34653.5 8
  73.100 128713.0 28
  78.600 24752.5 5
  80.200 9901.0 2
  82.800 14851.5 3
  87.400 34653.5 8
  90.600 44554.5 10
  104.900 4574262.0 999
  106.500 29703.0 6
  109.300 24752.5 5
  111.100 29703.0 6
  123.300 108911.0 24
  124.000 128713.0 28
  126.900 49505.0 11
  128.600 19802.0 4
  132.100 425743.0 93
  134.000 79208.0 17
  137.100 485149.0 106
  150.800 123762.5 27
  151.900 247525.0 54
  154.500 59406.0 13
  155.000 361386.5 79
  169.300 277228.0 61
  170.200 1623764.0 355
  186.900 2054457.5 449
//