ACCESSION: MSBNK-EPA-ENTACT_AGILENT001328
RECORD_TITLE: UK-416244; ESI-QTOF; MS2; CE: 40; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 367.1144604952
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03k9-0290000000-680356626b206c849998
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  180.056966 5.466784 54
  194.072616 18.958331 189
  195.080441 23.304255 232
  226.044687 1.404259 14
  227.052512 4.903864 48
  241.068162 5.672997 56
  242.075987 1.320766 13
  260.03759 100.000001 999
  260.097785 2.232249 22
  260.122937 1.005251 10
  274.05324 74.858954 747
  274.116806 1.375033 13
  275.061065 3.176717 31
  306.025311 2.319583 23
//