MassBank Record: MSBNK-EPA-ENTACT_AGILENT000184

Triflimide; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000184
RECORD_TITLE: Triflimide; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Triflimide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂HF₆NO₄S₂
CH$EXACT_MASS: 280.9251181885
CH$SMILES: O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
CH$IUPAC: InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H
CH$LINK: CAS 82113-65-3
CH$LINK: INCHIKEY ZXMGHDIOOHOAAE-UHFFFAOYSA-N

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 279.9178417368
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-002b-1970000000-a3d0adaeb9c3686d8128
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  77.965523 11.029645 110
  82.960852 3.254596 32
  144.930911 1.068722 10
  146.960732 100.000002 999
  210.922632 8.128089 81
  213.926121 1.1252 11
  279.917842 78.002799 779
//