ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001659
RECORD_TITLE: META-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$NAME: META-NITROBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅NO₃
CH$EXACT_MASS: 151.02694
CH$SMILES: O=Cc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
CH$LINK: INCHIKEY ZETIVVHRRQLWFW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8049383

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$SPLASH: splash10-0udi-9600000000-f2894ea4fbbd37052a02
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 6.07 61
  28 5.55 56
  29 7.19 72
  30 6.07 61
  31 3.81 38
  32 2.77 28
  37 3.21 32
  38 4.42 44
  39 7.8 78
  49 1.73 17
  50 32.84 328
  51 86.92 869
  52 3.99 40
  62 2.43 24
  63 4.33 43
  64 3.12 31
  65 11.01 110
  73 1.99 20
  74 12.82 128
  75 14.04 140
  76 26.52 265
  77 99.99 999
  78 6.24 62
  92 4.42 44
  93 1.65 17
  104 19.5 195
  105 53.21 532
  106 3.99 40
  120 3.47 35
  121 2.69 27
  135 1.56 16
  150 84.84 848
  151 87.52 875
  152 8.15 82
//