ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000084
RECORD_TITLE: META 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$NAME: META IODOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇I
CH$EXACT_MASS: 217.95924
CH$SMILES: Cc(c1)cc(I)cc1
CH$IUPAC: InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
CH$LINK: INCHIKEY VLCPISYURGTGLP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060809

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$SPLASH: splash10-014l-9050000000-9e67938a8ff79b4f7645
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  38 1.48 15
  39 9.48 95
  41 2.37 24
  50 4.09 41
  51 3.55 36
  61 0.95 10
  62 2.96 30
  63 8.23 82
  64 2.13 21
  65 37.56 376
  66 1.66 17
  89 7.7 77
  90 4.98 50
  91 96.74 967
  92 6.99 70
  127 1.13 11
  128 0.71 7
  217 0.71 7
  218 99.99 999
  219 7.23 72
//