ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005715
RECORD_TITLE: 4-NITROBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4-NITROBENZALDEHYDE
CH$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$LINK: CAS 555-16-8
CH$LINK: INCHIKEY BXRFQSNOROATLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5022061

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$SPLASH: splash10-0udi-8900000000-af01c134906fa6ff4215
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  17 0.67 7
  18 2.56 26
  26 0.51 5
  27 1.91 19
  28 1.25 13
  29 4.99 50
  30 7.99 80
  37 1.7 17
  38 2.84 28
  39 4.44 44
  46 2.1 21
  49 1.32 13
  50 19.68 197
  51 37.75 378
  52 1.81 18
  53 0.92 9
  61 1.67 17
  62 2.35 24
  63 3.42 34
  64 2.45 25
  65 9.49 95
  66 0.7 7
  73 2.02 20
  74 11.22 112
  75 9.71 97
  76 15.03 150
  77 49.75 498
  78 3.49 35
  79 0.21 2
  91 0.57 6
  92 7.7 77
  93 2.7 27
  94 0.27 3
  103 1.19 12
  104 14.91 149
  105 21.13 211
  106 1.9 19
  120 4.56 46
  121 0.76 8
  122 0.57 6
  123 0.65 7
  135 2.61 26
  136 0.33 3
  149 0.74 7
  150 78.04 780
  151 99.99 999
  152 9.57 96
  153 1.06 11
//