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MassBank Record: MSBNK-Keio_Univ-KO002038

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: MSBNK-Keio_Univ-KO002038
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: KEGG C00212
CH$LINK: NIKKAJI J4.501B
CH$LINK: PUBCHEM CID:60961
CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N
CH$LINK: COMPTOX DTXSID1022558

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

MS$FOCUSED_ION: PRECURSOR_M/Z 268
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-0090000000-106e7131507fadd4befb
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  45.700 19802.0 1
  74.000 1490100.5 11
  77.300 29703.0 1
  82.200 34653.5 1
  106.200 39604.0 1
  121.000 103960.5 1
  136.000 11064367.5 81
  137.800 1668318.5 12
  147.600 34653.5 1
  149.800 49505.0 1
  152.900 49505.0 1
  156.900 24752.5 1
  163.400 9901.0 1
  169.700 24752.5 1
  176.000 39604.0 1
  177.500 69307.0 1
  178.900 9901.0 1
  191.400 34653.5 1
  192.200 59406.0 1
  195.300 252475.5 2
  196.800 9901.0 1
  204.700 44554.5 1
  207.900 806931.5 6
  214.700 19802.0 1
  218.100 128713.0 1
  218.700 49505.0 1
  233.700 69307.0 1
  236.200 74257.5 1
  251.400 1856437.5 14
  268.300 136267463.0 999
//

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