MassBank Record: MSBNK-Waters-WA001973
ACCESSION: MSBNK-Waters-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$SMILES: CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
CH$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 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
//