MassBank Record: JP005268

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O-CHLOROANILINE; EI-B; MS

Mass Spectrum
Chemical Structure
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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$EXACT_MASS: 127.018879999999995789039530791342258453369140625
CH$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: COMPTOX DTXSID2021810
CH$LINK: INCHIKEY AKCRQHGQIJBRMN-UHFFFAOYSA-N

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
//