MassBank Record: KO003465



 1-Methyladenine; 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: KO003465
RECORD_TITLE: 1-Methyladenine; 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 M074

CH$NAME: 1-Methyladenine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H7N5 CH$EXACT_MASS: 149.07015 CH$SMILES: CN1C=NC2=NC=NC2=C1N CH$IUPAC: InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9) CH$LINK: CAS 5142-22-3 CH$LINK: CHEBI 18083 CH$LINK: KEGG C02216 CH$LINK: NIKKAJI J80.960H CH$LINK: PUBCHEM SID:5282 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-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 150 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-6900000000-6f6985a4886e8c196b8b PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 32.000 148515.0 19 41.100 34653.5 5 42.200 762377.0 100 42.800 59406.0 8 44.900 153465.5 20 51.700 29703.0 4 54.200 123762.5 16 55.100 2173269.5 285 57.200 351485.5 46 59.000 59406.0 8 61.400 19802.0 3 65.100 242574.5 32 65.900 69307.0 9 66.900 1222773.5 160 68.300 69307.0 9 68.900 237624.0 31 72.100 34653.5 5 72.800 39604.0 5 76.800 108911.0 14 79.100 1123763.5 147 79.800 79208.0 10 81.000 717822.5 94 82.200 4277232.0 560 91.900 3722776.0 488 93.100 346535.0 45 94.000 2168319.0 284 96.100 500000.5 66 96.400 133663.5 18 105.100 39604.0 5 106.200 2509903.5 329 106.900 282178.5 37 108.100 3227726.0 423 109.300 7623770.0 999 119.300 5158421.0 676 120.900 133663.5 18 121.400 49505.0 6 123.200 648515.5 85 124.400 54455.5 7 131.900 29703.0 4 133.200 1980200.0 259 133.900 158416.0 21 135.200 1529704.5 200 137.100 69307.0 9 148.100 123762.5 16 150.200 3386142.0 444 151.100 29703.0 4 //