ACCESSION: MSBNK-EPA-ENTACT_AGILENT000853
RECORD_TITLE: 2-(1-Methylbutyl)phenol; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03di-0900000000-1edd153386e36a3ef9a2
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  66.011113 1.081878 10
  91.018938 7.350481 73
  93.034588 1.596043 15
  119.050238 39.370729 393
  120.058063 5.891031 58
  121.065888 1.579737 15
  133.065888 2.768673 27
  134.073714 3.3784 33
  163.112839 99.999998 999
//