MassBank Record: KO000294



 Hydroxyatrazine; 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: KO000294
RECORD_TITLE: Hydroxyatrazine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 196 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01q9-9600000000-725e3ff10b6c5f931c5d PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 58.600 24752.5 78 67.000 24752.5 78 69.300 143564.5 453 83.000 316832.0 999 110.100 74257.5 234 110.500 69307.0 219 111.100 59406.0 187 121.700 24752.5 78 123.900 14851.5 47 124.900 44554.5 140 152.100 29703.0 94 154.000 34653.5 109 //