MassBank Record: KO003515

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N6-Methyl-2'-deoxyadenosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003515
RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQ; MS2; CE:40 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: COMPTOX DTXSID60173840
CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N
CH$LINK: KEGG C03795
CH$LINK: PUBCHEM SID:6544

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 40 V

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

PK$SPLASH: splash10-0udi-3900000000-40454402c6f071dcb6b1
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  41.0 242574.0 3.0
  43.1 1792080.0 19.0
  45.1 1920790.0 20.0
  53.2 227723.0 2.0
  55.3 158416.0 2.0
  57.4 1207920.0 12.0
  60.2 49505.0 1.0
  66.9 14851.5 1.0
  68.9 3836640.0 40.0
  71.2 5297040.0 55.0
  72.9 1.02723E7 106.0
  75.1 297030.0 3.0
  77.3 39604.0 1.0
  79.1 287129.0 3.0
  81.2 2698020.0 28.0
  82.1 79208.0 1.0
  84.1 69307.0 1.0
  85.3 59406.0 1.0
  87.0 34653.5 1.0
  89.1 29703.0 1.0
  94.2 4128720.0 43.0
  96.1 564357.0 6.0
  99.0 4980200.0 51.0
  104.6 69307.0 1.0
  106.1 292080.0 3.0
  108.1 222772.0 2.0
  109.3 356436.0 4.0
  112.4 99010.0 1.0
  117.2 2985150.0 31.0
  119.2 262376.0 3.0
  121.3 292080.0 3.0
  123.2 3336640.0 34.0
  133.0 797030.0 8.0
  135.3 584159.0 6.0
  148.4 628714.0 6.0
  150.3 9.6742704E7 999.0
  181.0 34653.5 1.0
//