ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001005
RECORD_TITLE: META-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$NAME: META-FLUOROBENZOIC ACID ETHYL ESTER
CH$NAME: ETHYL META-FLUOROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉FO₂
CH$EXACT_MASS: 168.05866
CH$SMILES: CCOC(=O)c(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
CH$LINK: COMPTOX DTXSID6060004
CH$LINK: INCHIKEY SMMIKBXLEWTSJD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67975

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-00di-6900000000-9a5de1c782e7fc6a8261
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 6.62 66
  28 2.77 28
  29 9.8 98
  45 7.76 78
  50 3.88 39
  51 2.48 25
  68 1.34 13
  69 2.86 29
  74 1.65 17
  75 15.78 158
  76 1.27 13
  94 2.67 27
  95 48.54 485
  96 4.71 47
  123 99.99 999
  124 9.16 92
  140 33.84 338
  141 2.54 25
  150 2.04 20
  153 1.78 18
  168 10.31 103
  169 0.76 8
//