ACCESSION: MSBNK-Keio_Univ-KO003021
RECORD_TITLE: sn-Glycero-3-phosphocholine; 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 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 30 V

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

PK$SPLASH: splash10-0udi-1900000000-f75cad450e1b9d0a8725
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  44.700 29703.0 1
  55.000 19802.0 1
  57.300 118812.0 2
  57.900 34653.5 1
  60.200 816832.5 15
  69.000 173267.5 3
  71.100 207921.0 4
  73.100 54455.5 1
  80.900 29703.0 1
  83.300 64356.5 1
  86.100 8089117.0 153
  92.800 14851.5 1
  95.200 19802.0 1
  97.400 44554.5 1
  99.000 549505.5 10
  104.100 52970350.0 999
  106.900 19802.0 1
  108.900 54455.5 1
  119.200 64356.5 1
  121.400 29703.0 1
  124.900 13024765.5 246
  135.400 500000.5 9
  143.100 64356.5 1
  149.000 74257.5 1
  152.300 683169.0 13
  155.300 24752.5 1
  165.200 34653.5 1
  166.300 1935645.5 37
  181.200 153465.5 3
  184.200 4925747.5 93
  191.100 14851.5 1
  198.800 54455.5 1
  199.100 64356.5 1
  207.600 168317.0 3
  209.000 59406.0 1
  225.100 49505.0 1
  240.700 34653.5 1
  258.500 257426.0 5
//