MassBank Record: MSJ01062



 Azaconazole; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ01062
RECORD_TITLE: Azaconazole; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (2016.12.28)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Azaconazole CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C12H11Cl2N3O2 CH$EXACT_MASS: 299.02283 CH$SMILES: Clc(c3)cc(Cl)c(c3)C(O2)(OCC2)Cn(c1)ncn1 CH$IUPAC: InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2 CH$LINK: INCHIKEY AKNQMEBLVAMSNZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:43233
AC$INSTRUMENT: GCMS-QP2010 Plus, Shimadzu AC$INSTRUMENT_TYPE: GC-EI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION EI AC$CHROMATOGRAPHY: COLUMN_NAME Ptx-5MS(RESTEK), 0.32 mm I.D. x 30 m, df=0.25 microm AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 80 C (1 min)-20 C/min - 180 C - 5 C/min - 330C (10 min) AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 260 C AC$CHROMATOGRAPHY: RETENTION_TIME 13.4 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 299.02
PK$SPLASH: splash10-014i-4980000000-8cf3ae0764205ea1ebec PK$NUM_PEAK: 79 PK$PEAK: m/z int. rel.int. 40 8 8 42 43 43 43 16 16 44 15 15 45 5 5 50 23 23 51 7 7 52 5 5 53 8 8 55 85 85 58 5 5 60 8 8 61 6 6 62 6 6 63 11 11 67 6 6 71 9 9 73 21 21 74 46 46 75 69 69 82 62 62 84 10 10 85 16 16 86 396 396 87 34 34 88 6 6 89 15 15 91 7 7 96 5 5 97 11 11 99 29 29 100 9 9 101 13 13 102 5 5 103 8 8 106 5 5 107 5 5 108 88 88 109 70 70 110 48 48 111 26 26 112 6 6 113 7 7 115 4 4 123 31 31 124 9 9 125 23 23 135 7 7 136 16 16 137 11 11 138 77 77 139 15 15 140 25 25 145 164 164 146 11 11 147 132 132 149 25 25 159 44 44 161 14 14 172 7 7 173 684 684 174 60 60 175 422 422 176 29 29 177 73 73 178 5 5 182 21 21 183 7 7 184 13 13 186 7 7 217 999 999 218 102 102 219 695 695 220 62 62 221 98 98 222 9 9 262 11 11 264 13 13 281 7 7 //