MassBank Record: MSBNK-EPA-ENTACT_AGILENT000711

1-O-Hexyl-2,3,5-trimethylhydroquinone; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000711
RECORD_TITLE: 1-O-Hexyl-2,3,5-trimethylhydroquinone; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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

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

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PK$SPLASH: splash10-0udi-0900000000-01ac19cf948fe4947e19
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  149.060803 1.287215 12
  150.068628 99.999998 999
  151.076453 1.810059 18
//