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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000191

ORTHO IODO ISOBUTYLBENZOATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000191
RECORD_TITLE: ORTHO IODO 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$NAME: ORTHO IODO ISOBUTYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13IO2
CH$EXACT_MASS: 303.99602
CH$SMILES: CC(C)COC(=O)c(c1)c(I)ccc1
CH$IUPAC: InChI=1S/C11H13IO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
CH$LINK: INCHIKEY IZXVGIVNILXQPP-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$SPLASH: splash10-0f9t-8090000000-ebe750b2a3fa8be8433a
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 7.62 76
  29 21.78 218
  39 8.97 90
  41 26.16 262
  43 5.26 53
  50 23.6 236
  51 4.18 42
  55 4.05 41
  56 18.54 185
  57 8.97 90
  65 4.05 41
  73 1.55 16
  74 4.59 46
  75 7.01 70
  76 54.62 546
  77 8.97 90
  78 1.35 14
  93 3.64 36
  104 10.79 108
  105 4.18 42
  121 4.72 47
  203 22.86 229
  204 1.48 15
  231 93.93 939
  232 7.35 74
  248 99.99 999
  249 11.67 117
  250 0.81 8
  304 6.95 70
  305 0.81 8
//

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