ACCESSION: MSBNK-Waters-WA001927
RECORD_TITLE: Diethylpropin; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0pb9-0900000000-4d24a8c399f83f61abed
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  100 357 357
  101 27 27
  103 423 423
  104 27 27
  105 999 999
  106 86 86
  115 94 94
  116 12 12
  117 223 223
  118 251 251
  119 20 20
  128 20 20
  130 274 274
  131 86 86
  132 63 63
  133 12 12
  134 24 24
  144 55 55
  145 16 16
  146 8 8
  158 24 24
  162 12 12
//