This website uses technical necessary cookies (e.g. session ID) and in addition the Matomo web analytics tool. Matomo enables us to evaluate the use of our website in compliance with GDPR (Directive 95/46/EC). Data Privacy Policy
This banner can be opend with the 'Data Privacy'-button. Your consent to the use of Matomo can be revoked any time. To make that choice, please un-check below.

MassBank MassBank Search Contents Download

MassBank Record: MSBNK-EPA-ENTACT_AGILENT000693

1-Phenyltetrazole-5-thiol; ESI-QTOF; MS2; CE: 20; [M-H]-

Mass Spectrum
40.0060.0080.00100.0120.0m/z0.000200.0400.0600.0800.01000Abundance
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000693
RECORD_TITLE: 1-Phenyltetrazole-5-thiol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Phenyltetrazole-5-thiol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H6N4S
CH$EXACT_MASS: 178.031316951
CH$SMILES: S=C1N=NNN1C1C=CC=CC=1
CH$IUPAC: InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
CH$LINK: CAS 86-93-1
CH$LINK: INCHIKEY GGZHVNZHFYCSEV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:690730

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$FOCUSED_ION: PRECURSOR_M/Z 177.0240404993
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-3259278282ec1c0662b9
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  42.009771 100 999
  42.034923 3.636897 36
  57.975693 6.332393 63
  117.045822 6.50609 64
//

Imprint Feedback
system version 2.2.8

Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium

Responsible: Tillmann G. Fischer

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo