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MassBank Record: KO001582

5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO001582
RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0006-0292000000-4b0921b5f9a435fd6860
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  59.500 24752.5 43
  95.100 49505.0 87
  176.900 277228.0 486
  217.100 69307.0 122
  225.000 39604.0 69
  236.100 24752.5 43
  239.000 14851.5 26
  248.000 24752.5 43
  252.200 44554.5 78
  256.900 19802.0 35
  269.000 14851.5 26
  281.500 29703.0 52
  290.800 569307.5 999
  299.200 19802.0 35
  307.100 24752.5 43
  312.800 19802.0 35
  331.000 54455.5 96
  389.100 173267.5 304
//

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