MassBank Record: KO000295



 Hydroxyatrazine; 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: KO000295
RECORD_TITLE: Hydroxyatrazine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 196 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9000000000-bd26a04c67cde316f853 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 42.000 59406.0 240 67.200 24752.5 100 68.900 74257.5 300 83.200 247525.0 999 111.100 14851.5 60 //