MassBank Record: KO009121



 1-Methyladenosine; LC-ESI-IT; MS2; m/z: 282; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009121
RECORD_TITLE: 1-Methyladenosine; LC-ESI-IT; MS2; m/z: 282; [M+H]+
DATE: 2011.05.10 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute 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$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60
MS$FOCUSED_ION: PRECURSOR_M/Z 282 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0udi-0900000000-e8b4ddf75d7e19b79a56 PK$ANNOTATION: m/z struct. num formula mass 150.1 1 1 C6H8N5 150.07797 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 81.0 1011.08 1 82.2 111.17 1 92.1 859.75 1 93.2 499.98 1 94.1 2036.08 1 96.2 1825.89 1 106.1 1006.29 1 108.2 641.50 1 109.1 1889.88 1 112.0 76.53 1 121.0 835.23 1 123.0 474.67 1 126.0 169.42 1 133.0 14104.54 6 137.0 422.11 1 146.9 57.45 1 147.9 1013.90 1 149.4 272.11 1 150.1 2501554.08 999 151.0 9159.90 4 151.9 1069.49 1 153.3 291.94 1 155.2 1264.21 1 163.2 78.69 1 173.3 626.55 1 180.1 81.84 1 195.1 217.32 1 205.0 335.45 1 211.9 643.55 1 221.0 124.53 1 222.9 57.25 1 229.0 260.85 1 234.6 261.08 1 237.1 256.93 1 246.1 128.53 1 264.2 1195.18 1 265.0 1930.08 1 282.1 155191.06 62 283.1 246.24 1 319.4 83.48 1 //