MassBank Record: JP008882

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ORTHO-AMINOTHIOPHENOL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP008882
RECORD_TITLE: ORTHO-AMINOTHIOPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-AMINOTHIOPHENOL
CH$NAME: 2-MERCAPTOANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NS
CH$EXACT_MASS: 125.02992000000000416548573412001132965087890625
CH$SMILES: Nc(c1)c(S)ccc1
CH$IUPAC: InChI=1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
CH$LINK: COMPTOX DTXSID6051693
CH$LINK: INCHIKEY VRVRGVPWCUEOGV-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0059-9300000000-543f4389ce662bdf4484
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  27 5.79 58
  28 5.17 52
  29 2.67 27
  37 5.88 59
  38 10.87 109
  39 24.96 250
  40 4.37 44
  41 9.63 96
  42 4.1 41
  43 3.12 31
  44 3.39 34
  45 19.43 194
  50 7.22 72
  51 10.7 107
  52 14.53 145
  53 20.68 207
  54 6.24 62
  57 5.88 59
  58 4.63 46
  60 4.01 40
  61 3.57 36
  61.5 2.67 27
  62 5.88 59
  62.5 4.28 43
  63 13.28 133
  64 6.95 70
  65 16.93 169
  66 8.47 85
  67 2.94 29
  69 15.15 152
  70 8.2 82
  71 3.92 39
  80 41.8 418
  81 21.21 212
  82 4.37 44
  91 3.74 37
  92 4.55 46
  93 26.74 267
  94 4.46 45
  95 3.12 31
  96 3.48 35
  97 16.49 165
  98 9.89 99
  99 3.65 37
  108 4.1 41
  124 20.23 202
  125 99.99 999
  126 10.7 107
  127 4.99 50
//