MassBank Record: KO009122

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1-Methyladenosine; LC-ESI-IT; MS3; m/z: 282/150; [M+H]+
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

ACCESSION: KO009122
RECORD_TITLE: 1-Methyladenosine; LC-ESI-IT; MS3; m/z: 282/150; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M051
COMMENT: [MS2] KO009121

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 CH$LINK: COMPTOX DTXSID30864632
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.70
MS$FOCUSED_ION: PRECURSOR_M/Z 282/150 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-06si-1900000000-a81173c3e117179fcf34 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 94.0 9.69 272 95.0 2.23 63 108.2 1.54 43 109.1 27.67 777 110.0 14.56 409 111.9 3.82 107 123.1 10.12 284 133.0 35.57 999 134.1 2.44 69 134.9 2.00 56 151.0 7.12 200 197.1 1.62 45 //