MassBank Record: JP000930

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(1,1'-BIPHENYL)-4,4'-DIAMINE; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP000930
RECORD_TITLE: (1,1'-BIPHENYL)-4,4'-DIAMINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: (1,1'-BIPHENYL)-4,4'-DIAMINE CH$NAME: BENZIDINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H12N2 CH$EXACT_MASS: 184.10005 CH$SMILES: Nc(c2)ccc(c2)c(c1)ccc(N)c1 CH$IUPAC: InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2 CH$LINK: CAS 92-87-5 CH$LINK: INCHIKEY HFACYLZERDEVSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020137
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-001i-1900000000-46465bd7171400dfc550 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 41 2.1 21 43 1.8 18 51 2.1 21 52 0.22 2 63 2.4 24 65 3 30 77 3.4 34 78 0.33 3 91 5.9 59 92 6.7 67 93 2.8 28 115 0.23 2 117 3.7 37 127 3.1 31 128 3.9 39 129 0.22 2 130 4.5 45 139 2.4 24 154 2.5 25 156 0.64 6 157 2.1 21 166 4.9 49 167 5.3 53 168 0.2 2 181 2.2 22 182 3.3 33 183 12.3 123 184 99.99 999 185 12.8 128 //