MassBank Record: MSBNK-Waters-WA002427
ACCESSION: MSBNK-Waters-WA002427
RECORD_TITLE: Vincamone; 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$NAME: Vincamone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H22N2O
CH$EXACT_MASS: 294.17321
CH$SMILES: CCC(C5)(C3)C([H])(N(CC5)4)c(c(CC4)1)n(C(=O)3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
CH$LINK: CAS
4880-88-0
CH$LINK: INCHIKEY
WYJAPUKIYAZSEM-MOPGFXCFSA-N
CH$LINK: COMPTOX
DTXSID6045119
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.600 min
AC$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: splash10-00di-0960000000-cb6d3a8456b37347a63d
PK$NUM_PEAK: 109
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//
system version 2.2.6-SNAPSHOT