MassBank Record: KO002379



 Deisopropylatrazine; 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: KO002379
RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 174 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-2900000000-ac4cef22e18530f7d2da PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 57.900 29703.0 3 60.900 59406.0 5 68.100 64356.5 5 68.900 292079.5 25 70.900 188119.0 16 72.700 19802.0 2 76.400 34653.5 3 79.000 1460397.5 124 81.100 153465.5 13 83.100 232673.5 20 85.400 39604.0 3 90.300 64356.5 5 93.000 133663.5 11 95.100 217822.0 18 96.100 1801982.0 153 97.000 292079.5 25 99.300 64356.5 5 104.000 400990.5 34 110.400 64356.5 5 111.100 292079.5 25 111.600 49505.0 4 113.300 54455.5 5 115.100 19802.0 2 117.600 19802.0 2 121.000 257426.0 22 125.000 24752.5 2 129.100 29703.0 3 131.900 1356437.0 115 138.100 237624.0 20 139.300 613862.0 52 142.200 59406.0 5 146.000 688119.5 58 157.000 544555.0 46 174.200 11797041.5 999 //