ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007989
RECORD_TITLE: 1-(2,6-DIMETHYLPHENOXY)-2-AMINOPROPANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 1-(2,6-DIMETHYLPHENOXY)-2-AMINOPROPANE
CH$NAME: MEXILETINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NO
CH$EXACT_MASS: 179.13101
CH$SMILES: CC(N)COc(c(C)1)c(C)ccc1
CH$IUPAC: InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
CH$LINK: INCHIKEY VLPIATFUUWWMKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8048446

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-9100000000-6d40293ed4e486f9cf9e
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  52 3.29 33
  53 1.28 13
  54 2.67 27
  56 2.27 23
  57 4.65 47
  58 99.99 999
  59 3.76 38
  63 1.26 13
  65 3.24 32
  77 10.2 102
  78 2.7 27
  79 3.82 38
  91 6.15 62
  92 1.42 14
  93 1.15 12
  103 2.25 23
  105 3.83 38
  107 4.12 41
  121 3.92 39
  122 3.89 39
  179 1.7 17
//