ACCESSION: MSBNK-Keio_Univ-KO003019
RECORD_TITLE: sn-Glycero-3-phosphocholine; 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 G069

CH$NAME: Glycerophosphorylcholine
CH$NAME: Glycerophosphocholine
CH$NAME: sn-Glycero-3-phosphocholine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₂₁NO₆P⁺
CH$EXACT_MASS: 258.11065
CH$SMILES: OCC(O)COP(O)(=O)OCC[N+1](C)(C)C
CH$IUPAC: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
CH$LINK: CHEBI 16870
CH$LINK: KEGG C00670
CH$LINK: PUBCHEM SID:3939
CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O

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$FOCUSED_ION: PRECURSOR_M/Z 259
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-0090000000-4d6bae123223c831241e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  68.000 24752.5 1
  77.900 470297.5 3
  82.400 54455.5 1
  86.100 19802.0 1
  96.700 29703.0 1
  100.800 14851.5 1
  104.100 5965352.5 43
  105.000 24752.5 1
  113.900 9901.0 1
  124.800 49505.0 1
  127.000 19802.0 1
  128.900 19802.0 1
  134.800 44554.5 1
  137.900 9901.0 1
  142.300 59406.0 1
  149.000 14851.5 1
  152.300 1450496.5 11
  158.400 14851.5 1
  163.200 14851.5 1
  164.600 34653.5 1
  166.100 103960.5 1
  168.100 44554.5 1
  176.800 14851.5 1
  181.500 29703.0 1
  184.200 84158.5 1
  185.300 29703.0 1
  194.200 54455.5 1
  198.100 163366.5 1
  204.200 24752.5 1
  205.600 44554.5 1
  208.400 39604.0 1
  222.300 54455.5 1
  223.400 554456.0 4
  226.000 321782.5 2
  239.900 79208.0 1
  241.400 1881190.0 14
  258.300 137326870.0 999
//