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MassBank Record: WA001631

Etilefrin; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA001631
RECORD_TITLE: Etilefrin; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Etilefrin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NO2
CH$EXACT_MASS: 181.11028
CH$SMILES: CCNCC(O)c(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3
CH$LINK: CAS 709-55-7
CH$LINK: INCHIKEY SQVIAVUSQAWMKL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023029

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 3.900 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 60 V

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

PK$SPLASH: splash10-0apr-0900000000-89acf5090836d378ff84
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  103 165 165
  105 78 78
  106 110 110
  107 517 517
  108 149 149
  109 846 846
  110 55 55
  111 24 24
  113 8 8
  115 12 12
  117 141 141
  118 588 588
  119 541 541
  120 168 168
  121 270 270
  128 16 16
  130 8 8
  131 20 20
  132 43 43
  134 678 678
  135 999 999
  136 298 298
  137 27 27
  145 24 24
  146 8 8
  147 20 20
  148 31 31
  162 8 8
  164 568 568
  165 35 35
  182 333 333
  183 24 24
//

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