MassBank Record: KO003463



 1-Methyladenine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003463
RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 150 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-8feb2aba1d8245cd5844 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 45.200 89109.0 1 49.900 103960.5 1 54.900 49505.0 1 57.300 79208.0 1 59.000 103960.5 1 60.900 19802.0 1 68.400 19802.0 1 69.000 54455.5 1 71.200 49505.0 1 71.800 163366.5 1 73.000 2544557.0 15 80.800 44554.5 1 82.200 133663.5 1 83.000 123762.5 1 85.100 34653.5 1 86.000 29703.0 1 87.200 103960.5 1 90.300 212871.5 1 90.500 39604.0 1 91.800 69307.0 1 94.200 772278.0 5 95.900 94059.5 1 96.900 113861.5 1 101.100 430693.5 3 106.100 158416.0 1 108.100 366337.0 2 109.300 2049507.0 12 114.000 94059.5 1 115.300 410891.5 2 118.200 29703.0 1 119.200 589109.5 3 121.300 143564.5 1 123.100 425743.0 3 132.000 351485.5 2 133.100 2584161.0 15 134.000 108911.0 1 135.400 480198.5 3 147.900 103960.5 1 148.500 84158.5 1 150.200 169668486.5 999 //