MassBank Record: KO001170

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Inosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO001170
RECORD_TITLE: Inosine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-014i-0090000000-00981efb4a9571473866
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  45.5 24752.5 1.0
  59.1 64356.5 3.0
  103.1 99010.0 4.0
  116.9 108911.0 4.0
  134.9 514852.0 21.0
  146.2 118812.0 5.0
  165.1 24752.5 1.0
  173.2 143564.0 6.0
  205.6 212872.0 9.0
  206.4 148515.0 6.0
  207.5 495050.0 20.0
  221.5 103960.0 4.0
  223.4 108911.0 4.0
  229.1 1549510.0 63.0
  230.9 2425740.0 99.0
  235.3 29703.0 1.0
  249.4 44554.5 2.0
  251.6 34653.5 1.0
  267.2 2.45693E7 999.0
//