ACCESSION: MSBNK-EPA-ENTACT_AGILENT000975
RECORD_TITLE: Thiocyclam (Evisekt); ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0fkc-9300000000-d54037b66e61e540ed4b
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39.022927 4.379733 43
  41.038577 27.654654 276
  44.049476 8.475955 84
  44.979347 65.214016 651
  46.065126 1.95342 19
  46.994997 3.270442 32
  58.994997 6.374116 63
  60.002822 1.055708 10
  70.994997 11.237426 112
  72.002822 6.714662 67
  73.010647 99.999997 999
  86.096426 1.361136 13
  90.967068 3.681892 36
  102.967068 56.45197 563
  103.974893 37.662756 376
  136.954789 2.680198 26
//