MassBank Record: KO001562

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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)

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: Orotidine 5'-phosphate
CH$NAME: Orotidylic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13N2O11P
CH$EXACT_MASS: 368.02569999999997207851265557110309600830078125
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 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
//