MassBank Record: MSBNK-Waters-WA001976
ACCESSION: MSBNK-Waters-WA001976
RECORD_TITLE: Apomorphine; LC-ESI-Q; MS; POS; 45 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$SMILES: CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
CH$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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00kr-0090000000-245ee65adc1eac02aa48
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
191 192 192
192 24 24
207 24 24
219 572 572
220 90 90
221 8 8
237 999 999
238 176 176
239 16 16
268 204 204
269 27 27
//