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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001001

PARA-FLUOROBENZOIC ACID ETHYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001001
RECORD_TITLE: PARA-FLUOROBENZOIC ACID ETHYL ESTER; 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$NAME: PARA-FLUOROBENZOIC ACID ETHYL ESTER
CH$NAME: ETHYL PARA-FLUOROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9FO2
CH$EXACT_MASS: 168.05866
CH$SMILES: CCOC(=O)c(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
CH$LINK: INCHIKEY UMPRJGKLMUDRHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060006

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$SPLASH: splash10-00di-5900000000-77d87ae4890959208fbc
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 3 30
  28 10.38 104
  29 3.83 38
  32 2.11 21
  45 3.33 33
  50 2.89 29
  51 1.78 18
  68 1.16 12
  69 2.22 22
  74 1.16 12
  75 13.21 132
  76 1.11 11
  94 2.22 22
  95 36.63 366
  96 2.83 28
  123 99.99 999
  124 9.04 90
  140 27.75 278
  141 2.66 27
  153 1.17 12
  167 1.11 11
  168 8.27 83
  169 1.11 11
//

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