MassBank Record: KO003431



 1-Methyladenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003431
RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M051

CH$NAME: 1-Methyladenosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C11H15N5O4 CH$EXACT_MASS: 281.11240 CH$SMILES: OCC([H])(O1)C([H])(O)C([H])(O)C([H])1n(c3)c(N=2)c(n3)C(=N)N(C)C2 CH$IUPAC: InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 CH$LINK: CAS 15763-06-1 CH$LINK: CHEBI 16020 CH$LINK: KEGG C02494 CH$LINK: NIKKAJI J130.848C CH$LINK: PUBCHEM SID:5506 CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 282 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-146fb1a2f3b0786b57e8 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 68.900 39604.0 9 69.400 19802.0 4 78.900 19802.0 4 82.200 34653.5 8 85.000 29703.0 7 94.000 39604.0 9 95.200 69307.0 15 95.900 19802.0 4 103.200 54455.5 12 105.300 44554.5 10 109.400 316832.0 70 117.300 19802.0 4 119.000 34653.5 8 122.400 19802.0 4 133.100 262376.5 58 133.800 64356.5 14 135.300 94059.5 21 149.500 49505.0 11 150.400 4544559.0 999 //