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MassBank Record: KO000621

2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000621
RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0pb9-1960000000-cae86b9369b467a619ac
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  59.000 1074258.5 224
  59.900 123762.5 26
  93.300 39604.0 8
  94.900 59406.0 12
  97.200 79208.0 17
  102.200 49505.0 10
  106.600 89109.0 19
  108.300 198020.0 41
  124.400 14851.5 3
  127.900 29703.0 6
  133.100 940595.0 196
  133.700 59406.0 12
  134.400 14851.5 3
  136.200 24752.5 5
  146.000 69307.0 14
  149.300 29703.0 6
  150.100 4787133.5 999
  155.000 44554.5 9
  168.100 39604.0 8
  172.500 14851.5 3
  176.200 608911.5 127
  177.900 14851.5 3
  205.500 529703.5 111
  206.400 3831687.0 800
  209.100 24752.5 5
  223.000 19802.0 4
  265.900 509901.5 106
//

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