MassBank Record: MT000143



 Inosine; LC-ESI-IT; MS2; m/z: 267.2; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000143
RECORD_TITLE: Inosine; LC-ESI-IT; MS2; m/z: 267.2; [M-H]-
DATE: 2016.01.19 (2009.08.07, 2012.10.30)
AUTHORS: Evans A MMetabolon Inc., Mitchell MMetabolon Inc., DeHaven C DMetabolon Inc., Barrett TMetabolon Inc., Milgram EMetabolon Inc., Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Inosine CH$COMPOUND_CLASS: Natural Product; Ribonucleic acids 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: HMDB HMDB00195 CH$LINK: KEGG C00294 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N
AC$INSTRUMENT: LTQ XL, Thermo Finnigan AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 267.2 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-000i-0900000000-cb192ec0941c4e4f04b1 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 92.2 0.6 6 108.1 0.2 2 135.1 100.0 999 136.1 6.5 65 149.2 0.2 2 177.1 0.5 5 205.0 0.2 2 222.1 0.2 2 223.0 0.8 8 224.1 0.2 2 249.1 0.3 3 267.1 0.2 2 //