ACCESSION: MSBNK-Keio_Univ-KO003020
RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0udi-0920000000-d31fc55790d0a9422b4c
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  56.900 59406.0 1
  71.200 59406.0 1
  78.400 44554.5 1
  83.200 84158.5 1
  85.000 64356.5 1
  85.900 1376239.0 20
  97.000 108911.0 2
  99.200 178218.0 3
  101.000 39604.0 1
  103.100 19802.0 1
  104.100 68470365.5 999
  104.900 34653.5 1
  113.200 29703.0 1
  119.400 19802.0 1
  123.100 34653.5 1
  125.100 2272279.5 33
  127.300 24752.5 1
  133.200 19802.0 1
  135.000 44554.5 1
  138.800 24752.5 1
  149.000 44554.5 1
  152.300 990100.0 14
  154.000 14851.5 1
  162.000 19802.0 1
  163.200 59406.0 1
  163.800 24752.5 1
  165.100 84158.5 1
  166.200 193069.5 3
  173.100 24752.5 1
  181.000 143564.5 2
  184.100 2599012.5 38
  190.300 24752.5 1
  199.300 554456.0 8
  205.200 64356.5 1
  207.000 24752.5 1
  209.100 49505.0 1
  223.400 346535.0 5
  240.100 277228.0 4
  241.600 237624.0 3
  258.300 22564379.0 329
//