MassBank Record: WA002417



 Yohimbine; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002417
RECORD_TITLE: Yohimbine; LC-ESI-Q; MS; POS; 75 V, 90 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
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$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0900000000-f7c16881b678fa9d78b3 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 105 24 24 106 47 47 107 24 24 108 12 12 109 12 12 115 20 20 117 180 180 118 27 27 119 16 16 120 20 20 127 20 20 128 12 12 129 12 12 130 43 43 131 16 16 132 27 27 134 98 98 135 16 16 143 39 39 144 999 999 145 125 125 146 31 31 148 12 12 156 12 12 158 31 31 160 12 12 162 39 39 168 12 12 180 27 27 192 12 12 194 31 31 206 12 12 212 74 74 213 12 12 224 43 43 355 20 20 //