ACCESSION: MSBNK-EPA-ENTACT_AGILENT001327
RECORD_TITLE: UK-416244; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: UK-416244
CH$NAME: DTXSID0047290
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₂N₂O₃S₂
CH$EXACT_MASS: 366.1071840435
CH$SMILES: CC1=CC(=CC=C1SC)OC1=CC=C(C=C1CN(C)C)S(N)(=O)=O
CH$IUPAC: InChI=1S/C17H22N2O3S2/c1-12-9-14(5-8-17(12)23-4)22-16-7-6-15(24(18,20)21)10-13(16)11-19(2)3/h5-10H,11H2,1-4H3,(H2,18,20,21)
CH$LINK: CAS 402910-27-4
CH$LINK: INCHIKEY QIWQQMZFTOCFGF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9969177

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 365.0999075918
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0019000000-bf9287ce9bcfda293af9
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  164.095512 2.257647 22
  228.052229 1.030165 10
  242.064508 4.324937 43
  243.072333 2.795868 27
  257.087983 6.423079 64
  286.114533 1.13795 11
  307.034233 9.248738 92
  320.042058 2.664025 26
  350.076432 7.775789 77
  365.099908 100.000001 999
//