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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004925

BENZOTRIFLUORIDE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004925
RECORD_TITLE: BENZOTRIFLUORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BENZOTRIFLUORIDE
CH$NAME: ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5F3
CH$EXACT_MASS: 146.03433
CH$SMILES: FC(F)(F)c(c1)cccc1
CH$IUPAC: InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
CH$LINK: CAS 98-08-8
CH$LINK: INCHIKEY GETTZEONDQJALK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2024589

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0002-3900000000-6ab7cc3d0490f1660a2a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  50 5.98 60
  51 9.32 93
  57 1.35 14
  63 1.72 17
  69 2.36 24
  70 1.35 14
  73 2.04 20
  74 2.68 27
  75 5.48 55
  76 1.58 16
  77 11.34 113
  95 3.53 35
  96 28.47 285
  97 1.99 20
  99 1.36 14
  125 2.95 30
  126 2.42 24
  127 35.14 351
  128 2.74 27
  145 40.97 410
  146 99.99 999
  147 7.8 78
//

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