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MassBank Record: KO001584

5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO001584
RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-056v-9700000000-bd45ef4b3b13a2ede00e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  59.200 29703.0 182
  79.100 163366.5 999
  93.100 34653.5 212
  94.800 59406.0 363
  96.900 118812.0 727
  148.700 29703.0 182
  158.800 133663.5 817
  167.800 29703.0 182
  174.900 14851.5 91
  176.100 14851.5 91
  177.200 94059.5 575
  193.000 39604.0 242
  240.800 14851.5 91
//

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