MassBank Record: RP004201



 Palmitoyl Ethanolamide; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP004201
RECORD_TITLE: Palmitoyl Ethanolamide; LC-ESI-QTOF; MS2; CE: 10; 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 10 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: splash10-0udi-0198000000-6edf46e8f204fb73c27b PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 80.2708 36 85 152.1079 40 94 171.0796 40 94 216.0094 50 118 257.2461 132 312 267.1963 52 123 292.1803 36 85 297.1377 72 170 297.2798 42 99 298.2713 54 127 299.2429 36 85 300.2892 422 999 //