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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000085

PARA IODOTOLUENE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000085
RECORD_TITLE: PARA IODOTOLUENE; 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$NAME: PARA IODOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7I
CH$EXACT_MASS: 217.95924
CH$SMILES: Cc(c1)ccc(I)c1
CH$IUPAC: InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
CH$LINK: INCHIKEY UDHAWRUAECEBHC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060785

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$SPLASH: splash10-014i-9070000000-e91849950bd42b3b6eae
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  38 1.56 16
  39 8.2 82
  41 1.46 15
  50 4.39 44
  51 3.41 34
  61 1.02 10
  62 2.93 29
  63 7.8 78
  64 2.2 22
  65 24.39 244
  74 1.07 11
  89 7.32 73
  90 4.88 49
  91 55.61 556
  92 4 40
  127 0.83 8
  128 0.49 5
  217 2.44 24
  218 99.99 999
  219 7.32 73
//

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