MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000083

ORTHO IODOTOLUENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000083
RECORD_TITLE: ORTHO 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

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CH$NAME: ORTHO IODOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇I
CH$EXACT_MASS: 217.95924
CH$SMILES: Cc(c1)c(I)ccc1
CH$IUPAC: InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
CH$LINK: INCHIKEY RINOYHWVBUKAQE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0060646

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-014l-9030000000-ba38ec16da1121a0e3e3
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 1.26 13
  37 1.68 17
  38 3.78 38
  39 16.78 168
  40 1.26 13
  41 2.43 24
  50 6.04 60
  51 6.63 66
  52 1.68 17
  61 2.1 21
  62 6.29 63
  63 15.44 154
  64 4.19 42
  65 38 380
  66 1.68 17
  74 1.26 13
  89 14.43 144
  90 12.67 127
  91 99.99 999
  92 7.21 72
  127 4.11 41
  128 1.26 13
  217 0.76 8
  218 85.57 856
  219 6.29 63
//