MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007990

1-(2,6-DIMETHYLPHENOXY)-2-AMINOPROPANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007990
RECORD_TITLE: 1-(2,6-DIMETHYLPHENOXY)-2-AMINOPROPANE; CI-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

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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

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AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

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PK$SPLASH: splash10-0a4i-9300000000-147905f020f0139cfe20
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  58 99.99 999
  59 5.09 51
  72 1.9 19
  86 2.37 24
  107 2.38 24
  121 1.98 20
  123 7.55 76
  151 1.83 18
  163 5.14 51
  178 3.7 37
  180 22.12 221
  181 1.92 19
  208 2.23 22
//