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MassBank Record: KO002708

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: KO002708
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

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

PK$SPLASH: splash10-0pb9-2900000000-40d283d8fc7276b2fa07
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  44.800 14851.5 2
  59.000 346535.0 46
  62.700 29703.0 4
  68.800 39604.0 5
  71.000 94059.5 13
  72.700 178218.0 24
  74.000 173267.5 23
  81.200 59406.0 8
  83.900 29703.0 4
  91.900 3247528.0 434
  93.200 727723.5 97
  94.200 202970.5 27
  94.900 49505.0 7
  98.700 277228.0 37
  104.700 14851.5 2
  106.900 39604.0 5
  108.100 4024756.5 538
  109.000 519802.5 69
  110.000 539604.5 72
  112.300 69307.0 9
  117.000 311881.5 42
  120.900 173267.5 23
  134.900 381188.5 51
  136.000 148515.0 20
  137.200 69307.0 9
  149.100 54455.5 7
  152.200 7480205.5 999
  156.100 232673.5 31
  157.000 950496.0 127
  158.000 5891095.0 787
  163.200 44554.5 6
  174.900 34653.5 5
  177.100 49505.0 7
  192.200 49505.0 7
  194.500 14851.5 2
  233.000 14851.5 2
  251.300 678218.5 91
//

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