MassBank Record: MSBNK-EPA-ENTACT_AGILENT000633
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
//
system version 2.2.8-SNAPSHOT