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MassBank Record: KO003827

Phosphocholine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003827
RECORD_TITLE: Phosphocholine; LC-ESI-QQ; MS2; CE:50 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 P074

CH$NAME: Phosphorylcholine
CH$NAME: O-Phosphocholine
CH$NAME: Choline phosphate
CH$NAME: Phosphocholine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H15NO4P+
CH$EXACT_MASS: 184.07387
CH$SMILES: C[N+1](C)(C)CCOP(O)(O)=O
CH$IUPAC: InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
CH$LINK: CAS 107-73-3
CH$LINK: CHEBI 18132
CH$LINK: KEGG C00588
CH$LINK: NIKKAJI J215.288F
CH$LINK: PUBCHEM SID:3867
CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 185
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-006t-9000000000-347eed4168ee48195753
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  44.900 1168318.0 263
  56.200 653466.0 147
  58.200 772278.0 174
  59.000 217822.0 49
  60.200 514852.0 116
  70.200 212871.5 48
  71.000 3509904.5 789
  73.000 29703.0 7
  77.300 64356.5 14
  80.900 1851487.0 416
  83.900 54455.5 12
  86.300 1024753.5 230
  90.600 29703.0 7
  99.000 4445549.0 999
  125.200 143564.5 32
//

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