MassBank MassBank Search Contents Download

MassBank Record: JP005268

O-CHLOROANILINE; EI-B; MS

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

ACCESSION: JP005268
RECORD_TITLE: O-CHLOROANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: O-CHLOROANILINE
CH$NAME: 2-CHLOROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6ClN
CH$EXACT_MASS: 127.01888
CH$SMILES: Nc(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
CH$LINK: INCHIKEY AKCRQHGQIJBRMN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021810

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-004i-7900000000-67f5307905643f810ff5
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  37 2.92 29
  38 4.83 48
  39 8.11 81
  40 1.06 11
  41 3.76 38
  42 1.24 12
  44.5 1.95 20
  45.5 8.95 90
  50 1.91 19
  51 1.86 19
  52 5.62 56
  61 2.13 21
  62 3.14 31
  63 8.2 82
  63.5 6.52 65
  64 9.66 97
  64.5 2.08 21
  65 18.12 181
  66 2.52 25
  73 3.01 30
  75 1.19 12
  90 2.53 25
  91 8.16 82
  92 17.38 174
  93 1.46 15
  99 4.09 41
  100 5.4 54
  101 2.08 21
  102 1.82 18
  126 1.81 18
  127 99.99 999
  128 7.71 77
  129 32.54 325
  130 2.35 24
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze