MassBank Record: KO001450



 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: KO001450
RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-053r-2900000000-aad427206f83eb895cd6 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 26.000 29703.0 13 41.100 34653.5 15 64.800 133663.5 57 65.300 311881.5 133 66.200 277228.0 119 77.900 29703.0 13 78.800 217822.0 93 79.200 103960.5 44 82.000 975248.5 417 90.100 227723.0 97 91.800 64356.5 28 92.400 69307.0 30 104.800 178218.0 76 106.100 1688120.5 722 107.100 1594061.0 682 117.000 653466.0 279 119.000 64356.5 28 131.000 485149.0 207 132.100 2336636.0 999 133.200 717822.5 307 145.900 34653.5 15 //