MassBank Record: RP003102



 Oleoyl 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: RP003102
RECORD_TITLE: Oleoyl 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 31

CH$NAME: Oleoyl Ethanolamide CH$NAME: n-oleoylethanolamine CH$NAME: (Z)-N-(2-hydroxyethyl)octadec-9-enamide CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C20H39NO2 CH$EXACT_MASS: 325.29808 CH$SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCCO CH$IUPAC: InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9- CH$LINK: CAS 111-58-0 CH$LINK: CHEBI 71466 CH$LINK: LIPIDMAPS LMFA08040015 CH$LINK: PUBCHEM CID:5283454 CH$LINK: INCHIKEY BOWVQLFMWHZBEF-KTKRTIGZSA-N CH$LINK: CHEMSPIDER 4446574
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$CHROMATOGRAPHY: RETENTION_TIME 6.845 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 88.075 MS$FOCUSED_ION: PRECURSOR_M/Z 326.3054 MS$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$SPLASH: splash10-03di-9003000000-c78dc8de661bfbe418d5 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 55.2994 48 1 57.0702 142 4 60.0443 64 1 61.0031 36 1 62.0595 34866 999 69.0694 304 8 71.0849 78 2 83.0857 358 10 95.0861 474 13 97.0615 58 1 97.1012 304 8 109.0642 80 2 109.1008 56 1 121.0979 84 2 135.1158 80 2 141.1638 38 1 142.1594 66 1 144.0891 38 1 149.1326 76 2 153.1266 42 1 154.0791 44 1 161.0808 62 1 163.0984 52 1 163.1495 36 1 164.1559 48 1 164.1993 38 1 165.1635 176 5 177.2326 48 1 191.1791 58 1 196.1008 52 1 207.031 50 1 211.0046 40 1 224.0516 46 1 234.1157 70 2 242.2455 76 2 243.0745 78 2 247.2184 56 1 247.2421 348 9 248.2472 92 2 253.1569 56 1 256.1116 50 1 257.9937 58 1 259.0011 76 2 261.0192 40 1 265.2514 382 10 266.2091 44 1 266.2569 172 4 267.0308 46 1 270.1159 76 2 271.0944 66 1 272.1447 42 1 275.067 40 1 307.0712 44 1 307.1434 62 1 308.2937 1138 32 309.278 3218 92 310.1285 44 1 310.179 36 1 310.2531 36 1 310.2827 704 20 311.2792 180 5 326.305 7484 214 328.3089 140 4 //