MassBank MassBank Search Contents Download

MassBank Record: JP004996

P-CHLOROTOLUENE; EI-B; MS

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

ACCESSION: JP004996
RECORD_TITLE: P-CHLOROTOLUENE; 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$NAME: P-CHLOROTOLUENE
CH$NAME: 1-CHLORO-4-METHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7Cl
CH$EXACT_MASS: 126.02363
CH$SMILES: Cc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
CH$LINK: CAS 106-43-4
CH$LINK: INCHIKEY NPDACUSDTOMAMK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8024814

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$SPLASH: splash10-002f-9400000000-da4d4e7fa2dc673e749c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  43 1.92 19
  44 1.5 15
  45 7.05 71
  50 3.27 33
  51 3.12 31
  61 1.42 14
  62 3.12 31
  63 8.98 90
  64 1.85 19
  65 7.51 75
  73 2.27 23
  74 1.34 13
  75 2.15 22
  89 7.36 74
  90 2.73 27
  91 99.99 999
  92 7.67 77
  99 2.23 22
  125 16.19 162
  126 39.2 392
  127 8.13 81
  128 12.02 120
  129 1 10
//

system version 2.1.8-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium