MassBank Record: MSBNK-EPA-ENTACT_AGILENT000632

Methyl 3-sulfamoylthiophene-2-carboxylate; ESI-QTOF; MS2; CE: 10; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000632
RECORD_TITLE: Methyl 3-sulfamoylthiophene-2-carboxylate; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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 10

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

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PK$SPLASH: splash10-000i-0910000000-bc0cc08ca54bb0d3e228
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.998537 5.093924 50
  77.965523 1.50137 14
  140.988998 1.228754 12
  156.012473 1.375074 13
  187.948158 99.999999 999
  219.974373 16.475859 164
//