MassBank Record: KO000293



 Hydroxyatrazine; 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: KO000293
RECORD_TITLE: Hydroxyatrazine; 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 A196

CH$NAME: Hydroxyatrazine CH$NAME: 4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H15N5O CH$EXACT_MASS: 197.12766 CH$SMILES: CCNC(=N1)NC(NC(C)C)=NC(=O)1 CH$IUPAC: InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14) CH$LINK: CAS 2163-68-0 CH$LINK: CHEBI 18316 CH$LINK: KEGG C06552 CH$LINK: NIKKAJI J9.489G CH$LINK: PUBCHEM SID:8781
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 196 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-2900000000-e28621caad476d6a130d PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 44.900 9901.0 11 58.200 29703.0 32 69.400 94059.5 100 83.100 202970.5 216 108.700 9901.0 11 110.500 19802.0 21 111.300 69307.0 74 124.800 123762.5 131 137.800 24752.5 26 151.700 54455.5 58 154.000 113861.5 121 163.400 49505.0 53 164.100 74257.5 79 168.000 24752.5 26 196.200 940595.0 999 //