MassBank Record: KO003430



 1-Methyladenosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003430
RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 282 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-2bcab3f498a3a7f4963c PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 57.000 113861.5 8 60.900 9901.0 1 69.800 14851.5 1 71.200 99010.0 7 72.700 64356.5 5 73.300 74257.5 5 79.900 39604.0 3 85.000 94059.5 7 85.900 44554.5 3 94.900 29703.0 2 95.300 39604.0 3 97.100 19802.0 1 105.200 168317.0 12 108.100 44554.5 3 109.100 242574.5 18 112.500 14851.5 1 114.000 79208.0 6 118.100 29703.0 2 119.200 44554.5 3 122.300 49505.0 4 130.000 54455.5 4 131.700 29703.0 2 133.000 178218.0 13 135.300 29703.0 2 137.900 103960.5 8 147.000 89109.0 7 148.300 69307.0 5 150.300 13524766.0 999 175.900 24752.5 2 191.400 94059.5 7 207.600 14851.5 1 //