ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009545
RECORD_TITLE: 4-AMINOBENZONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 4-AMINOBENZONITRILE
CH$NAME: 4-CYANOANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆N₂
CH$EXACT_MASS: 118.05310
CH$SMILES: N#Cc(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
CH$LINK: CAS 873-74-5
CH$LINK: INCHIKEY YBAZINRZQSAIAY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0061240

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-014i-7900000000-dd5b4d1abe581cea101e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  28 6.26 63
  37 1.28 13
  38 1.81 18
  39 3.59 36
  40 1.75 18
  41 4.09 41
  50 1.37 14
  51 1.91 19
  52 4.26 43
  62 2.08 21
  63 8.34 83
  64 10.99 110
  65 4.17 42
  66 1.42 14
  67 1.32 13
  75 1.29 13
  76 1.23 12
  78 1.21 12
  90 8.18 82
  91 27.33 273
  92 2.44 24
  117 4.75 48
  118 99.99 999
  119 9.7 97
//