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MassBank Record: JP003509

P-CHLOROANILINE; EI-B; MS

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

ACCESSION: JP003509
RECORD_TITLE: P-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$NAME: P-CHLOROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6ClN
CH$EXACT_MASS: 127.01888
CH$SMILES: Nc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
CH$LINK: INCHIKEY QSNSCYSYFYORTR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020295

AC$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-004i-7900000000-cafe0f1a1d9efab0a379
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  37 2.5 25
  38 4.5 45
  39 9.6 96
  41 5.6 56
  42 1.4 14
  45.5 1.9 19
  50 3.4 34
  51 0.28 3
  52 5.6 56
  61 3 30
  62 5.1 51
  63 1.14 11
  64 6.5 65
  65 28.2 282
  66 3.9 39
  73 0.48 5
  74 2.2 22
  75 3.5 35
  90 2.7 27
  91 0.6 6
  92 18.3 183
  93 1.4 14
  99 6 60
  100 0.84 8
  101 2.8 28
  102 2.6 26
  126 1.9 19
  127 99.99 999
  128 8.8 88
  129 27.2 272
  130 2.8 28
//

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