ACCESSION: MSBNK-EPA-ENTACT_AGILENT002484
RECORD_TITLE: 4-Isopropylbenzyl alcohol; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Isopropylbenzyl alcohol
CH$NAME: DTXSID0021626
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.1044650689
CH$SMILES: CC(C)C1C=CC(CO)=CC=1
CH$IUPAC: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
CH$LINK: CAS 536-60-7
CH$LINK: INCHIKEY OIGWAXDAPKFNCQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:325

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 151.1117415206
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-05a5589865818fd8f8d1
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  45.033491 2.066138 20
  61.007276 1.166275 11
  63.994366 5.387977 53
  79.017841 99.999996 999
  79.054227 1.820326 18
  151.111742 1.264855 12
//