ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001660
RECORD_TITLE: PARA-NITROBENZALDEHYDE; 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$NAME: PARA-NITROBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅NO₃
CH$EXACT_MASS: 151.02694
CH$SMILES: O=Cc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
CH$LINK: INCHIKEY BXRFQSNOROATLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5022061

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$SPLASH: splash10-0udi-9500000000-5c59f32e9a8085f6918f
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  26 1.39 14
  27 9.07 91
  28 6.14 61
  29 10.46 105
  30 15.27 153
  37 5.58 56
  38 8.02 80
  39 13.6 136
  46 1.39 14
  49 3.14 31
  50 47 470
  51 99.99 999
  52 4.81 48
  53 2.09 21
  61 2.65 27
  62 3.97 40
  63 6.21 62
  64 4.88 49
  65 15.97 160
  66 1.26 13
  73 3.42 34
  74 19.04 190
  75 17.43 174
  76 26.36 264
  77 91.91 919
  78 5.93 59
  92 12.06 121
  93 3.7 37
  94 1.39 14
  103 1.67 17
  104 22.94 229
  105 28.8 288
  106 2.16 22
  120 10.25 103
  121 1.74 17
  135 1.74 17
  150 98.33 983
  151 96.23 962
  152 8.23 82
//