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MassBank Record: JP003407

0,0'-BIPHENOL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003407
RECORD_TITLE: 0,0'-BIPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 0,0'-BIPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10O2
CH$EXACT_MASS: 186.06808
CH$SMILES: Oc(c2)c(ccc2)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H
CH$LINK: INCHIKEY IMHDGJOMLMDPJN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6051809

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-1900000000-ac229e69f67071ed3948
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  51 9.4 94
  63 8.7 87
  64 8 80
  77 8.4 84
  115 8.4 84
  127 8.4 84
  128 14.1 141
  129 1.17 12
  131 22.2 222
  139 12.7 127
  157 27.2 272
  158 2.65 27
  169 8.4 84
  185 11.1 111
  186 99.99 999
  187 13.8 138
//

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