ACCESSION: MSBNK-EPA-ENTACT_AGILENT000973
RECORD_TITLE: Thiocyclam (Evisekt); ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Thiocyclam (Evisekt)
CH$NAME: DTXSID0047036
CH$NAME: 杀虫环
CH$NAME: チオシクラム
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₁NS₃
CH$EXACT_MASS: 181.0053615483
CH$SMILES: CN(C)C1CSSSC1
CH$IUPAC: InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3
CH$LINK: CAS 31895-21-3
CH$LINK: CHEMSPIDER 33084
CH$LINK: INCHIKEY DNVLJEWNNDHELH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:35969

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 182.012638
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0079-8900000000-409a618fa69092a64f41
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.038577 3.701473 36
  44.049476 4.437134 44
  44.979347 4.511962 45
  46.065126 1.686838 16
  58.994997 1.42912 14
  70.994997 1.361787 13
  73.010647 90.882813 907
  86.096426 16.139142 161
  102.967068 11.518305 115
  103.974893 15.155017 151
  107.993617 1.329883 13
  136.954789 100.000001 999
  182.012638 2.560581 25
//