MassBank Record: KO001560



 Orotidine 5'-monophosphate; 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: KO001560
RECORD_TITLE: Orotidine 5'-monophosphate; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 367 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-002b-9421000000-51386b947bb9d4d98629 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 35.000 34653.5 2 59.000 133663.5 9 78.900 10014861.5 677 93.800 29703.0 2 94.800 19802.0 1 96.400 178218.0 12 97.000 14777242.5 999 109.800 34653.5 2 110.900 2559408.5 173 119.900 29703.0 2 120.700 64356.5 4 121.800 14851.5 1 126.000 64356.5 4 127.100 54455.5 4 127.300 34653.5 2 131.000 24752.5 2 136.100 59406.0 4 139.200 2257428.0 153 147.500 64356.5 4 151.200 2712874.0 183 152.100 1579209.5 107 153.800 24752.5 2 154.700 108911.0 7 162.000 19802.0 1 163.200 84158.5 6 163.900 391089.5 26 169.100 400990.5 27 174.900 29703.0 2 176.000 311881.5 21 181.900 84158.5 6 193.100 1084159.5 73 193.900 227723.0 15 197.000 14851.5 1 211.200 3717825.5 251 221.200 24752.5 2 240.800 19802.0 1 249.100 34653.5 2 257.200 346535.0 23 261.800 19802.0 1 262.500 29703.0 2 280.100 1420793.5 96 321.500 227723.0 15 323.300 2603963.0 176 367.100 14851.5 1 //