MassBank Record: KO000009

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Adenosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000009
RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A007

CH$NAME: Adenosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13N5O4
CH$EXACT_MASS: 267.09675
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
CH$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: CHEBI 16335
CH$LINK: CHEMPDB ADN
CH$LINK: COMPTOX DTXSID1022558
CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N
CH$LINK: KEGG C00212
CH$LINK: NIKKAJI J4.501B
CH$LINK: PUBCHEM SID:3512

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 266
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-0940000000-da71247788bf1ba222e2
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  45.8 14851.5 1.0
  59.2 485149.0 16.0
  59.9 54455.5 2.0
  93.0 816832.0 27.0
  94.7 14851.5 1.0
  128.8 2262380.0 74.0
  129.8 9901.0 1.0
  134.0 3.05446E7 999.0
  136.2 39604.0 1.0
  154.3 44554.5 1.0
  167.6 29703.0 1.0
  172.1 485149.0 16.0
  183.7 24752.5 1.0
  192.9 49505.0 2.0
  205.4 965348.0 32.0
  206.4 6698030.0 219.0
  229.8 108911.0 4.0
  230.3 331684.0 11.0
  233.2 49505.0 2.0
  266.2 1.00941E7 330.0
//