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MassBank Record: WA001630

Etilefrin; LC-ESI-Q; MS; POS; 75 V, 90 V

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

ACCESSION: WA001630
RECORD_TITLE: Etilefrin; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Etilefrin
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-0api-0900000000-e1826fec3ec98fe40bc6
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  101 12 12
  102 16 16
  103 125 125
  105 223 223
  106 443 443
  107 999 999
  108 153 153
  109 266 266
  110 20 20
  111 24 24
  113 27 27
  115 12 12
  116 31 31
  117 423 423
  118 670 670
  119 137 137
  120 309 309
  121 82 82
  123 24 24
  128 8 8
  129 20 20
  130 31 31
  131 27 27
  132 31 31
  133 51 51
  134 791 791
  135 247 247
  136 39 39
  137 8 8
  142 8 8
  144 20 20
  145 8 8
  146 12 12
  148 20 20
  164 259 259
  165 24 24
  182 462 462
  183 39 39
  187 8 8
//

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