MassBank Record: WA001601



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

ACCESSION: WA001601
RECORD_TITLE: Capsaicin; 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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Capsaicine CH$NAME: Capsaicin CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H27NO3 CH$EXACT_MASS: 305.19909 CH$SMILES: CC(C)C=CCCCCC(=O)NCc(c1)cc(OC)c(O)c1 CH$IUPAC: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+ CH$LINK: CAS 404-86-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 17.780 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00dr-0900000000-ceb6e919a1f706ce5cb2 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 105 43 43 106 47 47 107 78 78 108 16 16 109 24 24 110 16 16 118 149 149 120 8 8 122 999 999 123 51 51 127 8 8 132 8 8 135 39 39 137 717 717 138 47 47 140 8 8 143 12 12 163 8 8 175 8 8 181 8 8 187 8 8 211 12 12 288 8 8 306 24 24 307 8 8 328 24 24 //