MassBank Record: KO001449



 1-Methyladenine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001449
RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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$LINK: PUBCHEM SID:5282
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a59-1900000000-ffae45ee3f3a47910b63 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 65.300 806931.5 87 65.800 29703.0 3 78.700 54455.5 6 82.200 1772279.0 192 90.300 24752.5 3 92.000 193069.5 21 106.200 2519804.5 273 107.100 9237633.0 999 117.100 361386.5 39 119.300 59406.0 6 130.900 801981.0 87 131.900 3074260.5 332 133.200 4143568.5 448 146.000 207921.0 22 148.100 2227725.0 241 //