MassBank Record: NGA00787



 Adenosine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00787
RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Formula(Parent): C10H13N5O4
COMMENT: Bottle Name:Adenosine
COMMENT: PRIME Parent Name:Adenosine
COMMENT: PRIME in-house No.:0040 R0018, Purines

CH$NAME: Ado CH$NAME: Ade-Rib CH$NAME: 9-beta-D-Ribofuranosyladenine CH$NAME: Adenine riboside CH$NAME: Adenyldeoxyriboside CH$NAME: Sandesin CH$NAME: Boniton CH$NAME: Myocol CH$NAME: Nucleocardyl CH$NAME: Adenocard CH$NAME: Adenosine CH$COMPOUND_CLASS: Carbohydrates CH$FORMULA: C10H13N5O4 CH$EXACT_MASS: 267.24621 CH$SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CH$IUPAC: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 CH$LINK: CAS 58-61-7 CH$LINK: PUBCHEM CID:54923 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N
AC$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$SPLASH: splash10-000i-0900000000-5afa7c4a4932040bc665 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 135.2 0.71 0 135.3 2.11 2 135.4 5.07 5 135.5 9.89 9 135.6 17.9 17 135.7 31.88 31 135.8 52.94 52 135.9 76.48 76 136.0 94.02 93 136.1 100.0 99 136.2 94.53 94 136.3 79.37 79 136.4 55.98 55 136.5 29.23 29 136.6 7.89 7 136.7 0.01 0 //