MassBank Record: JP001818

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ORTHO-ANISIDINE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP001818
RECORD_TITLE: ORTHO-ANISIDINE; 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$NAME: ORTHO-ANISIDINE
CH$NAME: ORTHO-METHOXYANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H9NO
CH$EXACT_MASS: 123.068410000000000081854523159563541412353515625
CH$SMILES: COc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
CH$LINK: COMPTOX DTXSID5023877
CH$LINK: INCHIKEY VMPITZXILSNTON-UHFFFAOYSA-N

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$SPLASH: splash10-0ac0-8900000000-1e225ec069e10e5f0553
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 2.44 24
  26 1.4 14
  27 5.98 60
  28 7.8 78
  29 1.28 13
  37 1.28 13
  38 3.54 35
  38.5 1.1 11
  39 10.3 103
  40 1.22 12
  41 3.11 31
  50 3.66 37
  51 6.71 67
  52 13.6 136
  53 20.67 207
  54 3.66 37
  62 1.46 15
  63 3.66 37
  64 2.32 23
  65 12.8 128
  66 2.5 25
  77 2.13 21
  78 2.5 25
  79 2.13 21
  80 67.56 676
  81 4.57 46
  91 1 10
  92 5.98 60
  93 2.13 21
  94 1.89 19
  108 99.99 999
  109 7.62 76
  123 85.85 859
  124 7.43 74
//