ACCESSION: MSBNK-Keio_Univ-KO003512
RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; 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 M110

CH$NAME: N6-Methyl-2'-deoxyadenosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₅N₅O₃
CH$EXACT_MASS: 265.11749
CH$SMILES: OCC(O1)C(O)CC1n(c3)c(n2)c(n3)c(NC)nc2
CH$IUPAC: InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1
CH$LINK: CAS 2002-35-9
CH$LINK: KEGG C03795
CH$LINK: PUBCHEM SID:6544
CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N
CH$LINK: COMPTOX DTXSID60173840

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

PK$SPLASH: splash10-014i-0090000000-11f2c1803ac1125c1b75
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  68.000 173267.5 1
  71.000 133663.5 1
  72.200 34653.5 1
  85.000 113861.5 1
  85.900 242574.5 1
  98.700 39604.0 1
  100.800 39604.0 1
  104.000 44554.5 1
  108.200 59406.0 1
  111.500 34653.5 1
  116.900 772278.0 2
  119.200 19802.0 1
  123.100 717822.5 2
  127.300 589109.5 2
  130.100 54455.5 1
  137.200 138614.0 1
  146.900 14851.5 1
  150.300 34668351.5 95
  167.300 39604.0 1
  167.700 9901.0 1
  173.900 123762.5 1
  181.100 84158.5 1
  189.800 9901.0 1
  196.200 64356.5 1
  199.600 24752.5 1
  209.300 39604.0 1
  213.000 113861.5 1
  217.500 618812.5 2
  231.100 217822.0 1
  234.200 282178.5 1
  236.300 9901.0 1
  249.500 3232676.5 9
  266.400 364812246.0 999
//