ACCESSION: MSBNK-RIKEN_NPDepo-NGA00099
RECORD_TITLE: Inosine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-000i-0900000000-b022b08bf6a8092a61da
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  136.2 3.17 3
  136.3 6.87 6
  136.4 12.6 12
  136.5 19.12 19
  136.6 28.08 28
  136.7 43.09 43
  136.8 64.23 64
  136.9 85.25 85
  137.0 98.22 98
  137.1 100.0 99
  137.2 92.39 92
  137.3 77.18 77
  137.4 54.93 54
  137.5 29.36 29
  137.6 8.55 8
  137.7 0.25 0
//