MassBank Record: MSBNK-NILU-NL0109
ACCESSION: MSBNK-NILU-NL0109
RECORD_TITLE: trans-chlordane; GC-EI-FT; MS; Positive
DATE: 2024.08.05
AUTHORS: MILK, NILU
LICENSE: CC BY
COPYRIGHT: MILK, NILU
CH$NAME: trans-chlordane
CH$NAME: (1R,2S,3R,4R,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
CH$COMPOUND_CLASS: Non-Natural Product; Organochlorine
CH$FORMULA: C10H6Cl8
CH$EXACT_MASS: 405.79777
CH$SMILES: C1[C@H]2[C@@H]([C@H]([C@@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
CH$IUPAC: InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8-,9+/m0/s1
AC$INSTRUMENT: Trace 1310 GC, Thermo Scientific; Q Exactive Orbitrap, Thermo Scientific
AC$INSTRUMENT_TYPE: GC-EI-FT
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: KOVATS_RTI NA
AC$CHROMATOGRAPHY: RETENTION_TIME 15.47536
MS$FOCUSED_ION: BASE_PEAK 372.8255
PK$SPLASH: splash10-00di-2973000000-d21dd449009a461ef7fe
PK$NUM_PEAK: 549
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//
system version 2.2.8-SNAPSHOT
