MassBank Record: NGA00786



 Adenosine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00786
RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-000i-0900000000-4228b11ec0b0b806a62c PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 135.2 0.54 0 135.3 1.9 1 135.4 4.81 4 135.5 9.9 9 135.6 18.56 18 135.7 32.83 32 135.8 53.16 53 135.9 75.64 75 136.0 92.98 92 136.1 100.0 99 136.2 96.61 96 136.3 84.25 84 136.4 63.12 63 136.5 36.21 36 136.6 12.11 12 136.7 0.47 0 267.6 1.69 1 267.7 2.97 2 267.8 5.12 5 267.9 7.73 7 268.0 9.96 9 268.1 11.23 11 268.2 11.41 11 268.3 10.35 10 268.4 7.91 7 268.5 4.56 4 268.6 1.53 1 //