ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010058
RECORD_TITLE: 3,5,6-TRIMETHYL-P-HYDOQUINONE DIBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3,5,6-TRIMETHYL-P-HYDOQUINONE DIBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H20O4
CH$EXACT_MASS: 360.13616
CH$SMILES: c(c3)ccc(c3)C(=O)Oc(c1)c(C)c(C)c(OC(=O)c(c2)cccc2)c(C)1
CH$IUPAC: InChI=1S/C23H20O4/c1-15-14-20(26-22(24)18-10-6-4-7-11-18)16(2)17(3)21(15)27-23(25)19-12-8-5-9-13-19/h4-14H,1-3H3
CH$LINK: INCHIKEY WQYMVLAZGLEXEI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60322598
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-1900000000-32614f2c13a91bb44e30
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  51 5.5 55
  59 2.7 27
  76 3.2 32
  77 1.77 18
  78 4.4 44
  83 3.5 35
  89 1.8 18
  105 99.99 999
  106 7.9 79
  107 3.4 34
  175 0.5 5
  360 8 80
//
