MassBank Record: JP002119

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ORTHO-ETHYL ANILINE; EI-B; MS

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

ACCESSION: JP002119
RECORD_TITLE: ORTHO-ETHYL ANILINE; 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$NAME: ORTHO-ETHYL ANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11N
CH$EXACT_MASS: 121.0891500000000036152414395473897457122802734375
CH$SMILES: CCc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3
CH$LINK: COMPTOX DTXSID0042242
CH$LINK: INCHIKEY MLPVBIWIRCKMJV-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$SPLASH: splash10-0a4i-3900000000-2a005bbca40518ab63ee
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 1.36 14
  28 2.65 27
  30 1.55 16
  39 4.26 43
  41 1 10
  51 2.97 30
  52 1.87 19
  53 3.74 37
  58.5 1 10
  63 1.36 14
  65 3.23 32
  66 1.16 12
  77 13.69 137
  78 3.74 37
  79 11.62 116
  80 1.29 13
  89 1.03 10
  91 3.49 35
  93 1.74 17
  103 2.97 30
  104 1.36 14
  106 99.99 999
  107 8.13 81
  118 2.58 26
  120 3.36 34
  121 40.15 402
  122 3.16 32
//