ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003269
RECORD_TITLE: 2,4-DINITROANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2,4-DINITROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅N₃O₄
CH$EXACT_MASS: 183.02801
CH$SMILES: [O-1][N+1](=O)c(c1)cc([N+1]([O-1])=O)c(N)c1
CH$IUPAC: InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2
CH$LINK: INCHIKEY LXQOQPGNCGEELI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021823

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0w29-9000000000-9bb47c9c8678fcb1566d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  51 22.61 226
  52 99.99 999
  53 17.48 175
  54 5.12 51
  58 7.45 75
  61 7.69 77
  62 19.11 191
  63 39.16 392
  64 45.45 455
  65 15.15 152
  66 9.79 98
  67 3.96 40
  75 2.09 21
  76 4.19 42
  77 2.79 28
  78 6.29 63
  79 12.12 121
  80 3.49 35
  89 3.03 30
  90 6.29 63
  91 30.06 301
  92 6.06 61
  93 2.56 26
  95 2.09 21
  107 8.39 84
  153 7.22 72
  183 10.95 110
//