ACCESSION: MSBNK-Keio_Univ-KO009043
RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-IT; MS3; m/z: 266/150; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M110
COMMENT: [MS2] KO009042

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$LINK: PUBCHEM 6544
CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N
CH$LINK: COMPTOX DTXSID60173840

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 266/150
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0udi-1900000000-f9a532c5dde9d7f38b7b
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  57.3 1.77 11
  74.2 0.77 5
  94.1 36.64 222
  123.1 15.64 95
  133.1 3.68 22
  150.1 93.27 564
  151.1 165.23 999
  187.1 4.14 25
  188.2 3.15 19
  263.9 2.15 13
  306.1 6.09 37
//