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MassBank Record: MSBNK-Waters-WA002130

Amoxapine; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: MSBNK-Waters-WA002130
RECORD_TITLE: Amoxapine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.10.25)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Amoxapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H16ClN3O
CH$EXACT_MASS: 313.09819
CH$SMILES: Clc(c4)cc(c(c4)2)C(=Nc(c3)c(ccc3)O2)N(C1)CCNC1
CH$IUPAC: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
CH$LINK: CAS 14028-44-5
CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022598

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 13.940 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$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00di-0190000000-579703b81465839c2b4a
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  104 12 12
  118 20 20
  119 47 47
  164 24 24
  193 392 392
  194 51 51
  200 27 27
  202 12 12
  207 16 16
  208 16 16
  209 12 12
  210 16 16
  220 16 16
  228 184 184
  229 20 20
  230 102 102
  231 12 12
  233 12 12
  235 31 31
  236 16 16
  244 16 16
  245 121 121
  246 27 27
  247 39 39
  254 24 24
  256 16 16
  261 12 12
  269 90 90
  271 999 999
  272 133 133
  273 345 345
  274 39 39
  297 172 172
  298 24 24
  299 59 59
  314 98 98
  315 12 12
  316 35 35
//

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