MassBank Record: KO003462



 1-Methyladenine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003462
RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 150 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-7cfd49b4d5203a3a1926 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 50.100 1336635.0 4 59.000 64356.5 1 63.900 202970.5 1 68.000 89109.0 1 72.800 1599011.5 5 76.200 74257.5 1 77.300 29703.0 1 78.000 326733.0 1 82.200 202970.5 1 87.200 123762.5 1 89.700 54455.5 1 90.600 14851.5 1 93.200 19802.0 1 96.800 54455.5 1 97.000 79208.0 1 100.200 49505.0 1 101.000 1470298.5 5 104.100 39604.0 1 105.200 14851.5 1 109.400 108911.0 1 115.300 950496.0 3 117.900 247525.0 1 123.200 39604.0 1 131.900 1430694.5 5 132.900 4920797.0 16 149.300 74257.5 1 150.100 309426052.0 999 //