ACCESSION: MSBNK-Keio_Univ-KO002706
RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0udi-0490000000-a0d35f9580527e157997
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  73.900 277228.0 12
  78.000 34653.5 1
  101.700 19802.0 1
  112.300 94059.5 4
  113.700 29703.0 1
  116.900 84158.5 4
  120.700 34653.5 1
  123.900 19802.0 1
  134.000 54455.5 2
  137.400 84158.5 4
  138.600 29703.0 1
  152.100 12826745.5 537
  156.800 89109.0 4
  158.300 99010.0 4
  169.200 19802.0 1
  170.000 108911.0 5
  177.500 29703.0 1
  188.100 29703.0 1
  192.400 569307.5 24
  195.400 356436.0 15
  204.600 44554.5 2
  208.200 133663.5 6
  219.300 34653.5 1
  233.400 74257.5 3
  236.100 29703.0 1
  250.000 336634.0 14
  251.300 23841608.0 999
  268.300 7727730.5 324
//