MassBank Record: RP002902



 Pentadecanoyl Ethanolamide; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP002902
RECORD_TITLE: Pentadecanoyl Ethanolamide; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
DATE: 2017.10.20
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 29

CH$NAME: Pentadecanoyl Ethanolamide CH$NAME: Pentadecanoyl-EA CH$NAME: N-(2-hydroxyethyl)pentadecanamide CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C17H35NO2 CH$EXACT_MASS: 285.26678 CH$SMILES: O=C(CCCCCCCCCCCCCC)NCCO CH$IUPAC: InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18-15-16-19/h19H,2-16H2,1H3,(H,18,20) CH$LINK: CAS 72623-73-5 CH$LINK: LIPIDMAPS LMFA08040045 CH$LINK: PUBCHEM CID:14455157 CH$LINK: INCHIKEY UHPXXKLAACDXGS-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 13538073
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 6.414 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 286.2736 MS$FOCUSED_ION: PRECURSOR_M/Z 286.2741 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-03di-9010000000-58ce63d47787fd8fbd13 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 57.0695 9246 19 62.0595 480884 999 67.0537 3220 6 69.0696 6098 12 71.0854 26058 54 81.0696 6632 13 83.0853 3642 7 85.101 10400 21 95.0854 7466 15 96.0887 622 1 97.1006 1306 2 99.1161 872 1 109.1013 2854 5 123.1159 710 1 207.2106 492 1 225.2211 3082 6 268.2632 16030 33 269.2473 52230 108 286.2738 22586 46 //