ACCESSION: MSBNK-EPA-ENTACT_AGILENT000674
RECORD_TITLE: Trifluoromethanesulfonic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Trifluoromethanesulfonic acid
CH$NAME: DTXSID2044397
CH$COMPOUND_CLASS: N/A
CH$FORMULA: CHF₃O₃S
CH$EXACT_MASS: 149.9598492288
CH$SMILES: OS(=O)(=O)C(F)(F)F
CH$IUPAC: InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
CH$LINK: CAS 1493-13-6
CH$LINK: INCHIKEY ITMCEJHCFYSIIV-UHFFFAOYSA-N

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 148.9525727771
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-364398f9de2b91dfb401
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  68.995758 3.435561 34
  79.957363 100.000004 999
  98.955766 8.025013 80
//