MassBank Record: JP000084



 META IODOTOLUENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //