MassBank Record: KO002381



 Deisopropylatrazine; 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: KO002381
RECORD_TITLE: Deisopropylatrazine; 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 A203

CH$NAME: Deisopropylatrazine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H8ClN5 CH$EXACT_MASS: 173.04682 CH$SMILES: CCNc(n1)nc(Cl)nc(N)1 CH$IUPAC: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11) CH$LINK: CAS 1007-28-9 CH$LINK: KEGG C06556 CH$LINK: NIKKAJI J1.756F CH$LINK: PUBCHEM SID:8785
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 174 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0gb9-9300000000-9bca42ba45b9dcd3595a PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 42.900 262376.5 123 55.200 183168.5 86 62.100 361386.5 169 66.800 19802.0 9 68.000 2138616.0 999 69.000 59406.0 28 69.400 24752.5 12 71.100 376238.0 176 73.700 29703.0 14 76.800 79208.0 37 79.200 797030.5 372 81.000 49505.0 23 83.200 19802.0 9 91.100 54455.5 25 93.000 34653.5 16 95.300 49505.0 23 95.700 381188.5 178 97.300 14851.5 7 104.000 1292080.5 604 110.100 113861.5 53 111.300 44554.5 21 117.100 49505.0 23 130.100 34653.5 16 132.000 99010.0 46 144.200 29703.0 14 146.200 49505.0 23 //