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MassBank Record: KO001581

5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO001581
RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:10 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 P023

CH$NAME: 5-Phosphorylribose 1-pyrophosphate
CH$NAME: PRPP
CH$NAME: 5-Phosphoribosyl 1-pyrophosphate
CH$NAME: 5-Phospho-alpha-D-ribose 1-diphosphate
CH$NAME: 5-Phosphoribosyl diphosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H13O14P3
CH$EXACT_MASS: 389.95181
CH$SMILES: O[C@@H]([C@@H](O)1)[C@@H](COP(O)(O)=O)O[C@H]1OP(O)(=O)OP(O)(O)=O
CH$IUPAC: InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5+/m1/s1
CH$LINK: CHEBI 17111
CH$LINK: KEGG C00119
CH$LINK: PUBCHEM SID:3419
CH$LINK: INCHIKEY PQGCEDQWHSBAJP-AIHAYLRMSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 389
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-0019000000-eac0a72f95113ee4655a
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  164.800 14851.5 11
  166.600 14851.5 11
  176.700 14851.5 11
  248.200 89109.0 64
  291.000 128713.0 92
  307.000 14851.5 11
  345.000 49505.0 35
  353.000 19802.0 14
  389.100 1396041.0 999
//

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