MassBank Record: KO001562



 Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001562
RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 367 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004j-9100000000-99a4ed0dd4473727c8f7 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 35.000 79208.0 4 42.200 143564.5 7 45.000 29703.0 1 59.000 79208.0 4 67.800 44554.5 2 69.900 79208.0 4 70.400 24752.5 1 77.900 34653.5 2 79.000 20910912.0 999 82.000 49505.0 2 83.100 59406.0 3 84.800 49505.0 2 87.900 34653.5 2 92.100 29703.0 1 94.900 29703.0 1 97.000 10846545.5 518 106.300 44554.5 2 107.800 74257.5 4 110.200 79208.0 4 111.200 3014854.5 144 118.300 79208.0 4 120.800 321782.5 15 134.500 39604.0 2 139.100 460396.5 22 148.100 24752.5 1 151.100 455446.0 22 152.000 272277.5 13 162.800 19802.0 1 163.600 34653.5 2 174.700 24752.5 1 192.900 39604.0 2 211.300 99010.0 5 //