MassBank Record: KO001173

Home Search Record Index Data Privacy Imprint

Inosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001173
RECORD_TITLE: Inosine; 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 I003

CH$NAME: Inosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12N4O5
CH$EXACT_MASS: 268.08077
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2
CH$IUPAC: InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
CH$LINK: CAS 58-63-9
CH$LINK: CHEBI 17596
CH$LINK: COMPTOX DTXSID2045993
CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N
CH$LINK: KEGG C00294
CH$LINK: NIKKAJI J1.388I
CH$LINK: PUBCHEM SID:3588

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$FOCUSED_ION: PRECURSOR_M/Z 267
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-0910000000-c6d9b3470f4bf20f2031
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  59.3 138614.0 16.0
  64.9 14851.5 2.0
  79.0 173268.0 20.0
  92.1 668318.0 77.0
  103.0 103960.0 12.0
  108.0 861387.0 99.0
  127.1 34653.5 4.0
  129.0 49505.0 6.0
  132.9 19802.0 2.0
  133.9 34653.5 4.0
  135.1 8702980.0 999.0
  143.1 34653.5 4.0
  150.0 19802.0 2.0
  153.2 19802.0 2.0
  161.2 34653.5 4.0
  165.5 118812.0 14.0
  167.2 74257.5 9.0
  188.8 24752.5 3.0
  191.2 24752.5 3.0
  206.5 94059.5 11.0
  207.3 242574.0 28.0
  229.3 356436.0 41.0
  230.9 450496.0 52.0
//