ACCESSION: MSBNK-Keio_Univ-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: 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 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.
  41.000 242574.5 3
  43.100 1792081.0 19
  45.100 1920794.0 20
  53.200 227723.0 2
  55.300 158416.0 2
  57.400 1207922.0 12
  60.200 49505.0 1
  66.900 14851.5 1
  68.900 3836637.5 40
  71.200 5297035.0 55
  72.900 10272287.5 106
  75.100 297030.0 3
  77.300 39604.0 1
  79.100 287129.0 3
  81.200 2698022.5 28
  82.100 79208.0 1
  84.100 69307.0 1
  85.300 59406.0 1
  87.000 34653.5 1
  89.100 29703.0 1
  94.200 4128717.0 43
  96.100 564357.0 6
  99.000 4980203.0 51
  104.600 69307.0 1
  106.100 292079.5 3
  108.100 222772.5 2
  109.300 356436.0 4
  112.400 99010.0 1
  117.200 2985151.5 31
  119.200 262376.5 3
  121.300 292079.5 3
  123.200 3336637.0 34
  133.000 797030.5 8
  135.300 584159.0 6
  148.400 628713.5 6
  150.300 96742671.0 999
  181.000 34653.5 1
//