MassBank Record: WA002418



 Yohimbine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002418
RECORD_TITLE: Yohimbine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Yohimbine CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H26N2O3 CH$EXACT_MASS: 354.19434 CH$SMILES: COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O CH$IUPAC: InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 CH$LINK: CAS 146-48-5 CH$LINK: INCHIKEY BLGXFZZNTVWLAY-SCYLSFHTSA-N CH$LINK: COMPTOX DTXSID9040130
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.860 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0920000000-be873ad4340f382d285a PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 106 16 16 117 51 51 130 20 20 132 12 12 134 63 63 144 999 999 145 118 118 146 20 20 158 24 24 160 12 12 162 35 35 180 31 31 192 12 12 194 39 39 212 227 227 213 27 27 224 94 94 225 16 16 353 12 12 355 90 90 356 20 20 //

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