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MassBank Record: KO000623

2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: KO000623
RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:50 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 D057

CH$NAME: 2'-Deoxyguanosine
CH$NAME: Deoxyguanosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C10H13N5O4
CH$EXACT_MASS: 267.09675
CH$SMILES: OC[C@@H](O1)[C@@H](O)C[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC(N)2
CH$IUPAC: InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
CH$LINK: CAS 961-07-9
CH$LINK: CHEBI 17172
CH$LINK: KEGG C00330
CH$LINK: NIKKAJI J13.863K
CH$LINK: PUBCHEM SID:3624
CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N
CH$LINK: COMPTOX DTXSID30883626

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 50 V

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

PK$SPLASH: splash10-0a59-3900000000-8a9725a766901535e6e3
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  59.000 698020.5 552
  60.100 39604.0 31
  64.700 14851.5 12
  66.100 44554.5 35
  77.900 24752.5 20
  78.400 54455.5 43
  79.800 89109.0 71
  80.400 39604.0 31
  81.900 34653.5 27
  90.200 24752.5 20
  91.200 34653.5 27
  91.700 54455.5 43
  93.300 19802.0 16
  95.400 19802.0 16
  96.800 29703.0 24
  100.200 59406.0 47
  102.100 24752.5 20
  105.000 94059.5 74
  106.200 207921.0 165
  106.900 193069.5 153
  108.200 975248.5 772
  124.300 19802.0 16
  133.000 1262377.5 999
  134.200 69307.0 55
  148.500 19802.0 16
  150.200 316832.0 251
  176.400 24752.5 20
  189.900 59406.0 47
  204.900 19802.0 16
  206.200 217822.0 172
//

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