ACCESSION: MSBNK-EPA-ENTACT_AGILENT000709
RECORD_TITLE: 1-O-Hexyl-2,3,5-trimethylhydroquinone; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-O-Hexyl-2,3,5-trimethylhydroquinone
CH$NAME: DTXSID1020697
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄O₂
CH$EXACT_MASS: 236.1776300102
CH$SMILES: CCCCCCOC1=CC(C)=C(O)C(C)=C1C
CH$IUPAC: InChI=1S/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3
CH$LINK: CAS 148081-72-5
CH$LINK: INCHIKEY ATMNQRRJNBCQJO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:119193

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 235.1703535585
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0900000000-370570175017ea6e51ae
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  55.018938 1.450955 14
  79.055324 1.434998 14
  121.065888 10.996333 109
  134.037328 1.436427 14
  135.045153 1.335211 13
  149.039674 1.093928 10
  149.060803 42.413333 423
  150.068628 99.999997 999
  177.092103 2.023139 20
//