ACCESSION: MSBNK-RIKEN_NPDepo-NGA00098
RECORD_TITLE: Inosine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Formula(Parent): C10H12N4O5
COMMENT: Bottle Name:Inosine
COMMENT: PRIME Parent Name:Inosine
COMMENT: PRIME in-house No.:0256, Purines

CH$NAME: INO
CH$NAME: (-)-Inosine
CH$NAME: beta-Inosine
CH$NAME: Hypoxanthine 9-beta-D-ribofuranoside
CH$NAME: 9-beta-D-ribofuranosylhypoxanthine
CH$NAME: Hypoxanthine ribonucleoside
CH$NAME: Oxiamin
CH$NAME: Ribonosine
CH$NAME: Trophicardyl
CH$NAME: Inosine
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C₁₀H₁₂N₄O₅
CH$EXACT_MASS: 268.2309
CH$SMILES: OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O
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$LINK: CHEMSPIDER 5799
CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N
CH$LINK: COMPTOX DTXSID2045993
CH$LINK: PUBCHEM CID:135398641

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-6974eea606fec60e2413
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  136.2 3.36 3
  136.3 5.54 5
  136.4 9.11 9
  136.5 14.5 14
  136.6 23.61 23
  136.7 39.98 39
  136.8 63.89 63
  136.9 87.48 87
  137.0 100.0 99
  137.1 99.08 98
  137.2 90.49 90
  137.3 76.84 76
  137.4 55.41 55
  137.5 28.46 28
  137.6 6.36 6
  137.7 0.0 0
//