ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011300
RECORD_TITLE: 4-NITROANILINE; 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$NAME: 4-NITROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O₂
CH$EXACT_MASS: 138.04293
CH$SMILES: Nc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
CH$LINK: CAS 100-01-6
CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020961

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0ap0-9600000000-4508cf17b2ad0f7ca670
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  26 1.24 12
  27 1.73 17
  28 6.02 60
  30 8.55 86
  37 3.12 31
  38 7.24 72
  39 23.44 234
  40 2.88 29
  41 8.04 80
  42 2.61 26
  46 2.18 22
  50 4.61 46
  51 4.7 47
  52 13.26 133
  53 9.06 91
  54 4.19 42
  61 3.85 39
  62 7.62 76
  63 16.18 162
  64 10.65 107
  65 77.12 771
  66 10.76 108
  74 2.64 26
  75 1.74 17
  79 2.13 21
  80 31.18 312
  81 2.12 21
  90 2.03 20
  91 6.18 62
  93 3.21 32
  105 1.01 10
  108 99.99 999
  109 7.21 72
  122 5.98 60
  138 74.19 742
  139 6.09 61
//