MassBank Record: MSBNK-EPA-ENTACT_AGILENT001905

Phenylthiol; ESI-QTOF; MS2; CE: 10; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT001905
RECORD_TITLE: Phenylthiol; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Phenylthiol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆S
CH$EXACT_MASS: 110.0190209214
CH$SMILES: SC1C=CC=CC=1
CH$IUPAC: InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
CH$LINK: CAS 108-98-5
CH$LINK: INCHIKEY RMVRSNDYEFQCLF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4110039

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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 10

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MS$FOCUSED_ION: PRECURSOR_M/Z 109.0117444697
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0a4i-0900000000-841c5f8c5fb621203aeb
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  109.011744 99.999997 999
//