ACCESSION: MSBNK-Keio_Univ-KO003513
RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; 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 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 20 V

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

PK$SPLASH: splash10-0udi-0910000000-bfba1c7699f340d1a7c9
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  49.900 34653.5 1
  54.400 29703.0 1
  57.200 163366.5 1
  68.100 108911.0 1
  69.300 188119.0 1
  71.100 1099011.0 5
  72.900 1227724.0 5
  74.900 74257.5 1
  81.100 297030.0 1
  83.500 14851.5 1
  85.100 455446.0 2
  89.000 24752.5 1
  96.600 14851.5 1
  99.000 5287134.0 22
  100.800 59406.0 1
  104.800 44554.5 1
  107.000 29703.0 1
  111.300 217822.0 1
  115.100 74257.5 1
  117.200 33138647.0 138
  120.000 69307.0 1
  123.200 935644.5 4
  127.200 118812.0 1
  128.900 94059.5 1
  129.400 64356.5 1
  130.700 54455.5 1
  134.800 44554.5 1
  137.300 138614.0 1
  141.100 24752.5 1
  142.900 64356.5 1
  144.100 9901.0 1
  149.300 34653.5 1
  150.200 239767566.5 999
  151.300 14851.5 1
  167.600 24752.5 1
  173.900 89109.0 1
  181.200 113861.5 1
  189.100 29703.0 1
  192.100 9901.0 1
  196.000 49505.0 1
  213.400 34653.5 1
  217.100 34653.5 1
  249.100 99010.0 1
  266.500 34000034.0 142
//