ACCESSION: MSBNK-EPA-ENTACT_AGILENT000855
RECORD_TITLE: 2-(1-Methylbutyl)phenol; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-(1-Methylbutyl)phenol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O
CH$EXACT_MASS: 164.1201151327
CH$SMILES: CCCC(C)C1C=CC=CC=1O
CH$IUPAC: InChI=1S/C11H16O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h4-5,7-9,12H,3,6H2,1-2H3
CH$LINK: CAS 87-26-3
CH$LINK: INCHIKEY ROMXEVFSCNLHAB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:99016

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

MS$FOCUSED_ION: PRECURSOR_M/Z 163.112838681
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0900000000-9a419748c81e0fc6377f
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  119.050238 1.680478 16
  120.058063 1.391112 13
  163.112839 99.999998 999
//