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MassBank Record: KO000620

2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000620
RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-066r-1290000000-cf5beb73c1ce61ceb87b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  46.100 29703.0 4
  59.100 1262377.5 167
  59.900 148515.0 20
  85.100 24752.5 3
  93.000 89109.0 12
  94.900 69307.0 9
  97.000 44554.5 6
  132.900 44554.5 6
  135.700 19802.0 3
  146.200 202970.5 27
  150.100 3000003.0 396
  154.500 49505.0 7
  167.800 89109.0 12
  175.800 207921.0 27
  177.800 14851.5 2
  205.200 811882.0 107
  206.200 5405946.0 714
  208.100 14851.5 2
  220.500 19802.0 3
  222.500 59406.0 8
  233.600 59406.0 8
  248.600 24752.5 3
  266.000 7564364.0 999
//

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