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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007990

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

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

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

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: 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

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
//

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