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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005269

M-CHLOROANILINE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005269
RECORD_TITLE: M-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$NAME: M-CHLOROANILINE
CH$NAME: 3-CHLOROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6ClN
CH$EXACT_MASS: 127.01888
CH$SMILES: Nc(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
CH$LINK: INCHIKEY PNPCRKVUWYDDST-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0024761

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$SPLASH: splash10-004i-7900000000-54dad2f5a9187b00fde0
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  37 2.75 28
  38 4.39 44
  39 8.57 86
  40 1.07 11
  41 3.47 35
  42 1.17 12
  44.5 1.83 18
  45.5 8.39 84
  50 2.24 22
  51 1.64 16
  52 4.08 41
  61 2.34 23
  62 3.47 35
  63 7.54 75
  63.5 6.21 62
  64 6.23 62
  64.5 1.99 20
  65 23.51 235
  66 2.85 29
  73 2.75 28
  74 1.22 12
  75 1.43 14
  90 2.24 22
  91 5.77 58
  92 18.46 185
  93 1.38 14
  99 5.2 52
  100 7.34 73
  101 2.19 22
  102 2.45 25
  126 1.84 18
  127 99.99 999
  128 7.65 77
  129 31.64 316
  130 2.24 22
//

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