ACCESSION: MSBNK-Waters-WA001926
RECORD_TITLE: Diethylpropin; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-014i-0900000000-41dae72ef36be498c468
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  100 94 94
  102 39 39
  103 756 756
  104 82 82
  105 756 756
  106 98 98
  115 286 286
  116 51 51
  117 451 451
  118 999 999
  119 67 67
  120 8 8
  128 59 59
  129 12 12
  130 768 768
  131 98 98
  132 20 20
  133 8 8
  134 12 12
  143 31 31
  144 121 121
  145 20 20
  146 20 20
  158 16 16
  206 16 16
//