MassBank Record: WA001602



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

ACCESSION: WA001602
RECORD_TITLE: Capsaicin; LC-ESI-Q; MS; POS; 75 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$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0079-0900000000-cc33e4c9792ffbb70d15 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 100 8 8 105 12 12 107 59 59 109 20 20 110 8 8 118 55 55 120 8 8 122 874 874 123 51 51 124 12 12 135 27 27 136 8 8 137 999 999 138 74 74 139 8 8 306 8 8 328 8 8 //