ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004648
RECORD_TITLE: BENZYL IODIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL IODIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇I
CH$EXACT_MASS: 217.95924
CH$SMILES: c(c1)ccc(c1)CI
CH$IUPAC: InChI=1S/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
CH$LINK: CAS 620-05-3
CH$LINK: INCHIKEY XJTQJERLRPWUGL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060715

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-9000000000-2b5e04d017144ec55080
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  50 1.24 12
  51 1.8 18
  62 1.18 12
  63 3.1 31
  64 1.2 12
  65 8.18 82
  89 3.46 35
  90 2.1 21
  91 99.99 999
  92 8.12 81
  127 2.94 29
  218 3.15 32
//