ACCESSION: MSBNK-EPA-ENTACT_AGILENT000974
RECORD_TITLE: Thiocyclam (Evisekt); ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0019-2900000000-2449bdfa742f1f7e5aeb
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  46.065126 2.837961 28
  73.010647 13.89946 138
  86.096426 25.113679 250
  102.967068 1.575738 15
  103.974893 1.53358 15
  136.954789 100 999
  182.012638 63.38032 633
//