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MassBank Record: KO009112

sn-Glycero-3-phosphocholine; LC-ESI-IT; MS2; m/z: 258; [M+H]+

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

ACCESSION: KO009112
RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-IT; MS2; m/z: 258; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, 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$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 258
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0udi-0900000000-fce3a2f820cbe1cdd407
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  75.0 17.64 1
  86.1 434.47 1
  98.9 56.38 1
  104.1 878855.71 999
  105.4 706.07 1
  108.3 103.22 1
  110.1 31.48 1
  111.4 45.00 1
  117.6 48.53 1
  119.1 709.57 1
  120.5 56.64 1
  125.0 1520.72 2
  127.1 202.08 1
  154.9 60.79 1
  181.0 636.03 1
  184.0 1400.31 2
  186.5 106.29 1
  199.0 750.97 1
  211.8 55.12 1
  223.1 344.41 1
  230.1 115.81 1
  239.0 134.15 1
  240.1 985.79 1
  241.0 279.36 1
  257.1 66.22 1
  258.2 9781.04 11
  259.0 173.05 1
//

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