MassBank Record: RP002401



 Arachidoyl 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: RP002401
RECORD_TITLE: Arachidoyl 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 24

CH$NAME: Arachidoyl Ethanolamide CH$NAME: N-(2-hydroxyethyl)icosanamide CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C22H45NO2 CH$EXACT_MASS: 355.34503 CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)NCCO CH$IUPAC: InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-21H2,1H3,(H,23,25) CH$LINK: CAS 94421-69-9 CH$LINK: CHEBI 85253 CH$LINK: LIPIDMAPS LMFA08040038 CH$LINK: PUBCHEM CID:3787294 CH$LINK: INCHIKEY AUJVQJHODMISJP-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 3015157
AC$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 7.769 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 356.3519 MS$FOCUSED_ION: PRECURSOR_M/Z 356.3523 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: splash10-0a4i-0009000000-e3ff25692156796b2014 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 338.3412 332 1 339.3256 1150 3 340.3304 346 1 355.2807 706 2 356.3522 316338 999 358.3587 9472 29 //