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: 267.09674999999998590283212251961231231689453125
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.
  45.800 14851.5 1
  59.200 485149.0 16
  59.900 54455.5 2
  93.000 816832.5 27
  94.700 14851.5 1
  128.800 2262378.5 74
  129.800 9901.0 1
  134.000 30544585.0 999
  136.200 39604.0 1
  154.300 44554.5 1
  167.600 29703.0 1
  172.100 485149.0 16
  183.700 24752.5 1
  192.900 49505.0 2
  205.400 965347.5 32
  206.400 6698026.5 219
  229.800 108911.0 4
  230.300 331683.5 11
  233.200 49505.0 2
  266.200 10094069.5 330
//