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MassBank Record: WA001973

Apomorphine; LC-ESI-Q; MS; POS; 90 V

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

ACCESSION: WA001973
RECORD_TITLE: Apomorphine; 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$NAME: Apomorphine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H17NO2
CH$EXACT_MASS: 267.12593
CH$SMILES: Oc(c4)c(O)c(c(c4)1)c(c3)c(c(cc3)2)C([H])(N(C)CC2)C1
CH$IUPAC: InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
CH$LINK: CAS 58-00-4
CH$LINK: INCHIKEY VMWNQDUVQKEIOC-CYBMUJFWSA-N
CH$LINK: COMPTOX DTXSID8022614

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 11.600 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$SPLASH: splash10-000f-0900000000-73b030452537c6b4aa10
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  115 8 8
  141 8 8
  152 78 78
  153 20 20
  163 8 8
  164 8 8
  165 188 188
  166 27 27
  176 35 35
  177 8 8
  178 55 55
  179 27 27
  181 8 8
  189 999 999
  190 893 893
  191 807 807
  192 118 118
  193 12 12
  200 24 24
  201 59 59
  202 20 20
  218 27 27
  219 63 63
  220 8 8
  268 20 20
//

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