ACCESSION: MSBNK-Keio_Univ-KO000296
RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQ; MS2; CE:50 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
CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6037807

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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 196
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00lr-9000000000-46b54316c345acb7ffb6
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  67.300 64356.5 999
  81.000 24752.5 384
  83.400 64356.5 999
//