MassBank Record: MSBNK-Keio_Univ-KO003512
ACCESSION: MSBNK-Keio_Univ-KO003512
RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 266
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0090000000-11f2c1803ac1125c1b75
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
68.000 173267.5 1
71.000 133663.5 1
72.200 34653.5 1
85.000 113861.5 1
85.900 242574.5 1
98.700 39604.0 1
100.800 39604.0 1
104.000 44554.5 1
108.200 59406.0 1
111.500 34653.5 1
116.900 772278.0 2
119.200 19802.0 1
123.100 717822.5 2
127.300 589109.5 2
130.100 54455.5 1
137.200 138614.0 1
146.900 14851.5 1
150.300 34668351.5 95
167.300 39604.0 1
167.700 9901.0 1
173.900 123762.5 1
181.100 84158.5 1
189.800 9901.0 1
196.200 64356.5 1
199.600 24752.5 1
209.300 39604.0 1
213.000 113861.5 1
217.500 618812.5 2
231.100 217822.0 1
234.200 282178.5 1
236.300 9901.0 1
249.500 3232676.5 9
266.400 364812246.0 999
//