ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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: 121.08915
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$LINK: INCHIKEY MLPVBIWIRCKMJV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0042242

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
//