MassBank Record: KO001561



 Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001561
RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 367 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004j-9200000000-19e8c2948f89cf43f2ba PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 35.000 69307.0 4 41.800 99010.0 6 59.200 188119.0 10 71.100 19802.0 1 78.900 17930711.0 999 83.200 24752.5 1 92.900 24752.5 1 96.900 15202985.5 847 105.900 14851.5 1 110.000 84158.5 5 111.100 4267331.0 238 117.900 29703.0 2 121.200 262376.5 15 127.800 34653.5 2 128.700 24752.5 1 135.600 49505.0 3 136.200 89109.0 5 139.000 1574259.0 88 140.300 39604.0 2 146.000 49505.0 3 146.700 39604.0 2 147.900 99010.0 6 151.300 1861388.0 104 152.300 1094060.5 61 155.400 59406.0 3 163.300 74257.5 4 163.900 217822.0 12 169.300 74257.5 4 176.100 158416.0 9 179.400 29703.0 2 193.400 282178.5 16 197.400 34653.5 2 211.300 668317.5 37 280.300 89109.0 5 323.500 49505.0 3 //