MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003407
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
//