MassBank Record: KO003020



 sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM SID:3939
AC$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 //