ACCESSION: MSBNK-Keio_Univ-KO002710
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

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

PK$SPLASH: splash10-0006-9700000000-4fde30bc41c3868c03b4
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  43.100 89109.0 35
  55.200 19802.0 8
  57.200 54455.5 21
  59.200 103960.5 41
  65.200 851486.0 332
  66.100 108911.0 43
  67.200 44554.5 17
  69.200 64356.5 25
  71.100 34653.5 14
  72.900 138614.0 54
  74.100 14851.5 6
  80.100 252475.5 99
  81.300 74257.5 29
  82.100 54455.5 21
  92.100 2559408.5 999
  93.000 762377.0 298
  94.200 183168.5 71
  106.700 29703.0 12
  108.000 1490100.5 582
  109.400 227723.0 89
  110.300 801981.0 313
  112.100 24752.5 10
  135.000 1386140.0 541
  152.300 504951.0 197
  153.100 94059.5 37
  158.200 29703.0 12
//