Debug Info

object
{15}
_id
:
EW7yCBUwg1U
spectrumID
:
EW7yCBUwg1U
cost
:
1
specType
:
131072
xnmrNucleus
:
1
dbLocation
:
WRTMS:813:8
hasStructureAssignments
:
false
properties
{22}
analyticalTechnique
:
MS (LC)
analyticalTechniqueLongName
:
Mass Spectrum (LC)
isFullSpectrum
:
false
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

Logged In :

Authorized Features

  • None
  • DataFullSpectraPoints
  • DataReadAll
  • DataReportGeneration
  • ExportCompound
  • ExportStructure
  • ExportSpectrum
  • ImageFullMS
  • ImageHighRes
  • ImageFullAxis
  • SearchSpectral
  • SearchStructure
ADVERTISEMENT
Pyridate
SpectraBase Compound ID 6Sfvy3yBsJz
InChI InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
InChIKey JTZCTMAVMHRNTR-UHFFFAOYSA-N
Mol Weight 378.92 g/mol
Molecular Formula C19H23ClN2O2S
Exact Mass 378.116877 g/mol
ADVERTISEMENT

Mass Spectrum (LC)

Mass Spectrum (LC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EW7yCBUwg1U
Name Pyridate
CAS Registry Number 55512-33-9
Collision Energy 45 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 378.116876861 u
Formula C19H23ClN2O2S
InChI InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
InChIKey JTZCTMAVMHRNTR-UHFFFAOYSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 378.918 g/mol
Nominal Mass 378 u
Precursor Ion [M+H]+
Precursor m/z 379.124
SMILES C1(Cl)=NN=C(C(OC(SCCCCCCCC)=O)=C1)C1=CC=CC=C1
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate
Technique Q-TOF
Wiley ID MSforID_+_818.8
ADVERTISEMENT