ACCESSION: MSBNK-EPA-ENTACT_AGILENT000631
RECORD_TITLE: Methyl 3-sulfamoylthiophene-2-carboxylate; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-0f95eeb5437478a7e4fb
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  41.998537 99.999996 999
  47.967534 5.198879 51
  49.008374 1.654753 16
  50.003623 4.416228 44
  56.980444 2.291413 22
  61.970608 6.254535 62
  63.962449 4.156718 41
  68.980444 2.191937 21
  69.975693 4.226028 42
  70.983518 1.557685 15
  71.967534 1.775098 17
  72.975359 1.827356 18
  77.965523 38.822543 387
  78.968165 1.920433 19
  79.957363 1.192562 11
  80.980444 7.036684 70
  81.988269 6.543509 65
  82.996094 2.646349 26
  83.991343 3.701866 36
  85.983184 1.071539 10
  96.999168 5.691964 56
  97.983184 1.515439 15
  107.013853 1.273623 12
  123.986258 1.417521 14
  187.948158 4.360513 43
//