MassBank Record: MSBNK-MSSJ-MSJ01062
ACCESSION: MSBNK-MSSJ-MSJ01062
RECORD_TITLE: Azaconazole; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (Created 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
CH$LINK: COMPTOX
DTXSID3041613
AC$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.
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//
system version 2.2.6-SNAPSHOT