ACCESSION: MSBNK-RIKEN_NPDepo-NGA00786
RECORD_TITLE: Adenosine; 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): 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: 267.2462
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: CHEMSPIDER 54923
CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N
CH$LINK: COMPTOX DTXSID1022558
CH$LINK: PUBCHEM CID:60961

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
//