MassBank Record: KO003660

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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)

ACCESSION: KO003660
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: Orotidine 5'-phosphate
CH$NAME: Orotidylic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13N2O11P
CH$EXACT_MASS: 368.0257
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$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N
CH$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: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 369
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0ab9-1900000000-c0bff94247e9d478e3d0
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  73.1 24752.5 278.0
  74.9 29703.0 333.0
  105.0 89109.0 999.0
  106.4 29703.0 333.0
  109.0 14851.5 167.0
  130.0 29703.0 333.0
  134.9 14851.5 167.0
  166.0 29703.0 333.0
  167.9 14851.5 167.0
  174.9 59406.0 666.0
  184.6 19802.0 222.0
  200.9 14851.5 167.0
//