ACCESSION: MSBNK-NILU-NL0119
RECORD_TITLE: Hexabromobenzene; GC-EI-FT; MS; Positive
DATE: 2024.08.05
AUTHORS: MILK, NILU
LICENSE: CC BY
COPYRIGHT: MILK, NILU

CH$NAME: Hexabromobenzene
CH$NAME: 1,2,3,4,5,6-hexabromobenzene
CH$COMPOUND_CLASS: Non-Natural Product; Brominated flame retardant
CH$FORMULA: C₆Br₆
CH$EXACT_MASS: 545.51003
CH$SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
CH$IUPAC: InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9

AC$INSTRUMENT: Thermo Scientific Q Exactive GC Hybrid Quadrupol-Orbitrap
AC$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 2449.595

MS$FOCUSED_ION: BASE_PEAK 231.83408

PK$SPLASH: splash10-0ue9-1972130000-05cb823b42e600074ba1
PK$NUM_PEAK: 247
PK$PEAK: m/z int. rel.int.
  51.02298 160104 4
  53.03863 125797 3
  55.01785 182804 5
  55.05433 132229 4
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//