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MassBank Record: MSBNK-EPA-ENTACT_AGILENT002236

N,N-Dicyclohexyl-2-benzothiazolesulfenamide; ESI-QTOF; MS2; CE: 40; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT002236
RECORD_TITLE: N,N-Dicyclohexyl-2-benzothiazolesulfenamide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N-Dicyclohexyl-2-benzothiazolesulfenamide
CH$NAME: DTXSID3027584
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H26N2S2
CH$EXACT_MASS: 346.1537403042
CH$SMILES: C1CCCCC1N(SC1=NC2C=CC=CC=2S1)C1CCCCC1
CH$IUPAC: InChI=1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2
CH$LINK: CAS 4979-32-2
CH$LINK: INCHIKEY CMAUJSNXENPPOF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21080

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$FOCUSED_ION: PRECURSOR_M/Z 347.1610167559
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-5900000000-c235ba9cf209bb735ca7
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55.054227 18.03393 180
  56.049476 29.666462 296
  70.065126 1.267251 12
  81.069877 1.560453 15
  83.085527 12.824986 128
  98.096426 16.944859 169
  100.112076 3.212862 32
  138.127726 99.999999 999
  152.143376 4.021262 40
  165.977967 27.086464 270
  180.174676 4.642338 46
  183.004516 2.888174 28
//

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