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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000192

PARA FLUORO ISOBUTYLBENZOATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000192
RECORD_TITLE: PARA FLUORO ISOBUTYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA FLUORO ISOBUTYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13FO2
CH$EXACT_MASS: 196.08996
CH$SMILES: CC(C)COC(=O)c(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C11H13FO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
CH$LINK: INCHIKEY IGYANOACLVBRGX-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00di-9700000000-c42cefa0da4a3d5d8ea2
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 6.01 60
  29 7.13 71
  39 7.04 70
  41 14.6 146
  43 2.75 28
  50 3.69 37
  51 2.15 22
  55 2.06 21
  56 37.8 378
  57 3.35 34
  68 1.12 11
  69 2.58 26
  74 1.72 17
  75 19.76 198
  76 1.37 14
  94 2.66 27
  95 43.64 436
  96 2.58 26
  97 2.15 22
  123 99.99 999
  124 6.96 70
  140 1.2 12
  141 20.62 206
  142 1.29 13
//

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