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MassBank Record: KO001583

5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO001583
RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-002f-7991000000-05be33580fdc607ed00c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  58.400 19802.0 87
  79.000 49505.0 217
  93.100 54455.5 239
  94.900 103960.5 456
  97.100 39604.0 174
  149.300 49505.0 217
  158.900 49505.0 217
  175.200 34653.5 152
  177.400 148515.0 652
  190.600 14851.5 65
  198.700 19802.0 87
  217.100 19802.0 87
  223.500 14851.5 65
  228.400 24752.5 109
  241.300 29703.0 130
  291.200 227723.0 999
  331.300 54455.5 239
//

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