MassBank Record: RP004202



 Palmitoyl 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: RP004202
RECORD_TITLE: Palmitoyl 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 42

CH$NAME: Palmitoyl Ethanolamide CH$NAME: Palmitoylethanolamide CH$NAME: N-(2-hydroxyethyl)hexadecanamide CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C18H37NO2 CH$EXACT_MASS: 299.28243 CH$SMILES: CCCCCCCCCCCCCCCC(=O)NCCO CH$IUPAC: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21) CH$LINK: CAS 544-31-0 CH$LINK: CHEBI 71464 CH$LINK: KEGG D08328 CH$LINK: LIPIDMAPS LMFA08040013 CH$LINK: PUBCHEM CID:4671 CH$LINK: INCHIKEY HXYVTAGFYLMHSO-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 4509
AC$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 6.721 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 88.0752 MS$FOCUSED_ION: PRECURSOR_M/Z 300.2897 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: splash10-03e9-9150000000-f699f2ee45fd83d20176 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 62.0597 166 999 65.0831 42 252 71.086 42 252 85.1007 84 505 195.1038 44 264 228.1271 60 361 263.0553 44 264 283.2641 118 710 //