MassBank Record: KO002380



 Deisopropylatrazine; 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: KO002380
RECORD_TITLE: Deisopropylatrazine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 174 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0g02-9600000000-f17cf922e4445068820b PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 42.900 128713.0 53 54.900 103960.5 43 62.000 69307.0 29 67.000 39604.0 16 68.000 1341585.5 553 69.300 475248.0 196 71.100 747525.5 308 73.100 14851.5 6 77.100 163366.5 67 78.900 1613863.0 665 80.900 138614.0 57 83.200 247525.0 102 85.700 44554.5 18 90.200 153465.5 63 90.800 69307.0 29 93.100 89109.0 37 95.200 138614.0 57 96.000 2212873.5 911 97.100 168317.0 69 99.300 19802.0 8 104.100 2425745.0 999 105.400 24752.5 10 106.000 19802.0 8 110.000 198020.0 82 110.400 89109.0 37 111.200 99010.0 41 117.500 44554.5 18 121.200 44554.5 18 131.800 1004951.5 414 138.100 207921.0 86 139.100 64356.5 27 145.200 44554.5 18 146.100 465347.0 192 157.300 39604.0 16 158.400 39604.0 16 171.600 19802.0 8 174.300 693070.0 285 //