MassBank Record: KO001558



 Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001558
RECORD_TITLE: Orotidine 5'-monophosphate; 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 O015

CH$NAME: Orotidine 5'-monophosphate CH$NAME: Orotidylic acid CH$NAME: Orotidine 5'-phosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13N2O11P CH$EXACT_MASS: 368.02570 CH$SMILES: OC(=O)C(=C2)N(C(=O)NC(=O)2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 CH$IUPAC: InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1 CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI 15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K CH$LINK: PUBCHEM SID:4337
AC$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$FOCUSED_ION: PRECURSOR_M/Z 367 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0009000000-981d4a471af3dd7ca6b8 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 58.600 29703.0 1 110.700 19802.0 1 117.300 14851.5 1 211.000 84158.5 1 236.800 29703.0 1 255.100 19802.0 1 256.700 14851.5 1 280.200 39604.0 1 291.000 59406.0 1 307.400 405941.0 5 321.300 8044562.5 97 323.400 4509905.5 55 331.000 14851.5 1 358.100 39604.0 1 367.200 82658498.5 999 //