ACCESSION: MSBNK-Keio_Univ-KO000622
RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0a4i-2930000000-08d635c63c26f8baa811
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  59.000 990100.0 520
  60.200 123762.5 65
  78.100 29703.0 16
  82.000 49505.0 26
  91.000 69307.0 36
  91.800 24752.5 13
  95.500 9901.0 5
  96.800 173267.5 91
  100.000 64356.5 34
  102.100 39604.0 21
  106.300 59406.0 31
  107.300 351485.5 185
  107.900 1153466.5 606
  124.600 19802.0 10
  133.100 1900992.0 999
  133.900 113861.5 60
  136.100 14851.5 8
  148.400 64356.5 34
  150.200 1747526.5 918
  167.800 9901.0 5
  176.100 257426.0 135
  180.100 19802.0 10
  190.400 39604.0 21
  205.000 306931.0 161
  206.400 1801982.0 947
//