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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000220

PARA NITRO ANISOLE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000220
RECORD_TITLE: PARA NITRO ANISOLE; 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$NAME: PARA NITRO ANISOLE
CH$NAME: PARA METHOXY NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO3
CH$EXACT_MASS: 153.04259
CH$SMILES: COc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
CH$LINK: COMPTOX DTXSID9059208
CH$LINK: INCHIKEY BNUHAJGCKIQFGE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7485

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$SPLASH: splash10-0w4l-9400000000-d414686ceef07883b9a1
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 2.56 26
  26 2.1 21
  27 3.3 33
  28 3.41 34
  30 3.92 39
  37 2.56 26
  38 10.23 102
  39 6.14 61
  41 9.32 93
  50 18.48 185
  51 11.37 114
  52 5.57 56
  53 4.21 42
  61 2.27 23
  62 6.37 64
  63 28.6 286
  64 45.25 453
  65 5.68 57
  74 7.11 71
  75 6.71 67
  76 7.56 76
  77 79.25 793
  78 6.59 66
  79 3.24 32
  80 3.75 38
  92 66.46 665
  93 4.43 44
  95 14.21 142
  106 3.41 34
  107 13.93 139
  123 37.24 372
  124 2.56 26
  137 8.3 83
  153 99.99 999
  154 8.24 82
//

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