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MassBank Record: WA001929

Diethylpropin; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA001929
RECORD_TITLE: Diethylpropin; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Diethylpropin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H19NO
CH$EXACT_MASS: 205.14666
CH$SMILES: CCN(CC)C(C)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
CH$LINK: CAS 90-84-6
CH$LINK: INCHIKEY XXEPPPIWZFICOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022929

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 10.700 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0900000000-c1b2d6c9129949a93836
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  100 439 439
  101 47 47
  102 35 35
  103 8 8
  105 999 999
  106 82 82
  117 12 12
  131 24 24
  132 51 51
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  134 27 27
  143 8 8
  144 12 12
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  160 27 27
  162 12 12
  188 20 20
  206 168 168
  207 24 24
//

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