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) \n

ACCESSION: KO001583
RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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 //