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MassBank Record: KO002707

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: KO002707
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

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

PK$SPLASH: splash10-0udi-0940000000-fe3943fe094f79531ea7
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  59.200 103960.5 9
  73.000 49505.0 4
  73.700 252475.5 23
  86.100 9901.0 1
  91.900 143564.5 13
  93.400 59406.0 5
  99.100 108911.0 10
  101.900 9901.0 1
  107.900 351485.5 32
  109.400 89109.0 8
  112.400 69307.0 6
  117.200 1188120.0 107
  119.800 39604.0 4
  121.300 59406.0 5
  134.100 44554.5 4
  135.200 103960.5 9
  136.000 158416.0 14
  137.400 69307.0 6
  148.700 89109.0 8
  152.200 11138625.0 999
  155.900 202970.5 18
  157.200 574258.0 52
  158.000 4445549.0 399
  175.100 103960.5 9
  177.500 74257.5 7
  178.000 49505.0 4
  192.400 242574.5 22
  194.100 24752.5 2
  195.200 311881.5 28
  206.000 34653.5 3
  208.300 44554.5 4
  233.000 59406.0 5
  250.000 198020.0 18
  251.400 10257436.0 920
  268.400 69307.0 6
//

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