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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001014

PARA-IODOBENZOIC 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-JP001014
RECORD_TITLE: PARA-IODOBENZOIC 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$NAME: PARA-IODOBENZOIC ACID ETHYL ESTER
CH$NAME: ETHYL PARA-IODOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9IO2
CH$EXACT_MASS: 275.96472
CH$SMILES: CCOC(=O)c(c1)ccc(I)c1
CH$IUPAC: InChI=1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
CH$LINK: INCHIKEY YCBJOQUNPLTBGG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0049311

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$SPLASH: splash10-0fai-5190000000-b7b7daf8876009dafbf8
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 6.09 61
  28 1 10
  29 10.34 103
  38 1.72 17
  39 1.72 17
  45 4.02 40
  50 27.52 275
  51 4.02 40
  65 7.41 74
  73 1.72 17
  74 10.63 106
  75 11.38 114
  76 45.29 453
  77 5.46 55
  103 3.45 35
  104 10.57 106
  105 2.3 23
  121 2.93 29
  127 1.95 20
  128 1.61 16
  149 5.63 56
  203 22.07 221
  204 1.67 17
  231 99.99 999
  232 11.49 115
  248 38.79 388
  249 2.82 28
  276 40.4 404
  277 3.97 40
//

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