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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011633

DIPHENYLACETIC ACID; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011633
RECORD_TITLE: DIPHENYLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12O2
CH$EXACT_MASS: 212.08373
CH$SMILES: OC(=O)C(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
CH$LINK: CAS 117-34-0
CH$LINK: NIKKAJI J38.187J
CH$LINK: INCHIKEY PYHXGXCGESYPCW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0059453

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-014i-0910000000-5402c61b553fa7bf5889
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  18 1.35 14
  39 1.67 17
  51 1.8 18
  63 1.79 18
  77 1.72 17
  82 3.5 35
  83 3.35 34
  89 1.3 13
  91 1 10
  115 2.47 25
  128 1.61 16
  139 1.98 20
  151 1.14 11
  152 13.38 134
  153 2.63 26
  163 1.61 16
  164 1.99 20
  165 27.95 280
  166 9.85 99
  167 99.99 999
  168 18.27 183
  169 1.44 14
  212 29.07 291
  213 4.47 45
//

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