MassBank Record: KO009042

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N6-Methyl-2'-deoxyadenosine; LC-ESI-IT; MS2; m/z: 266; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO009042
RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-IT; MS2; m/z: 266; [M+H]+
DATE: 2011.05.10 (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

CH$NAME: N6-Methyl-2'-deoxyadenosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H15N5O3
CH$EXACT_MASS: 265.1174899999999752253643237054347991943359375
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: COMPTOX DTXSID60173840
CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N
CH$LINK: KEGG C03795
CH$LINK: PUBCHEM 6544

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70

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

PK$SPLASH: splash10-0udi-0900000000-8bff921ef293e83fbbe9
PK$ANNOTATION: 150.1 1 1 C6H8N5 150.07797
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  81.2 109.75 1
  92.0 332.76 1
  94.1 4065.89 3
  96.0 478.79 1
  99.1 409.84 1
  105.0 566.19 1
  106.1 449.98 1
  109.0 57.65 1
  112.1 577.76 1
  117.1 9832.85 6
  118.1 89.62 1
  121.0 193.27 1
  123.0 1701.23 1
  131.0 64.80 1
  132.1 271.77 1
  133.0 412.09 1
  134.0 104.97 1
  135.0 432.86 1
  148.0 74.61 1
  149.3 947.10 1
  150.1 1580864.89 999
  151.0 1574.39 1
  152.3 680.68 1
  158.9 146.58 1
  162.1 592.63 1
  163.1 273.25 1
  167.4 35.86 1
  169.1 646.73 1
  184.0 594.59 1
  185.0 392.46 1
  188.2 132.76 1
  196.1 595.08 1
  220.6 71.16 1
  222.0 4024.67 3
  224.0 583.65 1
  231.0 161.91 1
  233.0 243.59 1
  234.1 2097.50 1
  235.1 1969.73 1
  248.0 287.72 1
  265.1 3836.81 2
  266.1 5930.68 4
  267.0 57.77 1
//