ACCESSION: MSBNK-EPA-ENTACT_AGILENT001389
RECORD_TITLE: 3-Methyl-4-(methylthio)phenol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-Methyl-4-(methylthio)phenol
CH$NAME: DTXSID0051996
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀OS
CH$EXACT_MASS: 154.0452356713
CH$SMILES: CC1C=C(O)C=CC=1SC
CH$IUPAC: InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
CH$LINK: CAS 3120-74-9
CH$LINK: INCHIKEY VKALYYFVKBXHTF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:18391

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$FOCUSED_ION: PRECURSOR_M/Z 153.0379592196
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0900000000-61e4880ab4316042da2e
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
137.006659 3.308816 33
138.014484 100.000003 999
//