ACCESSION: MSBNK-EPA-ENTACT_AGILENT000633
RECORD_TITLE: Methyl 3-sulfamoylthiophene-2-carboxylate; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Methyl 3-sulfamoylthiophene-2-carboxylate
CH$NAME: DTXSID0044490
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₇NO₄S₂
CH$EXACT_MASS: 220.9816491799
CH$SMILES: COC(=O)C1SC=CC=1S(N)(=O)=O
CH$IUPAC: InChI=1S/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
CH$LINK: CAS 59337-93-8
CH$LINK: INCHIKEY PMXNPOJHBQDJKS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101012

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

MS$FOCUSED_ION: PRECURSOR_M/Z 219.9743727282
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-4900000000-5051ca78b61d9049b0a1
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  41.998537 27.080568 270
  61.970608 7.236596 72
  77.965523 7.554116 75
  80.980444 1.667703 16
  95.991343 3.045178 30
  96.003919 1.453143 14
  96.999168 2.712869 27
  105.960437 3.23188 32
  123.986258 2.511292 25
  140.988998 1.033752 10
  187.948158 99.999998 999
//