MassBank Record: RP002402



 Arachidoyl 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: RP002402
RECORD_TITLE: Arachidoyl 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 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 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 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-0009000000-005390efce1bceafc2ee PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 57.2576 96 1 67.0536 494 6 69.0698 424 5 71.0851 2532 34 81.0693 868 11 83.0852 830 11 85.0641 94 1 85.1006 1610 22 86.0603 80 1 89.0113 80 1 95.0853 1196 16 97.101 482 6 99.1168 208 2 101.0221 92 1 109.1017 472 6 111.1176 286 3 113.1336 82 1 123.1165 134 1 143.3552 96 1 145.2044 102 1 146.0341 74 1 146.0797 80 1 149.1653 74 1 150.0087 76 1 151.1481 90 1 168.2802 74 1 177.1036 78 1 183.2114 102 1 184.3194 80 1 187.325 116 1 190.3214 92 1 210.0207 76 1 217.1337 78 1 224.3422 78 1 244.2049 84 1 248.0069 76 1 248.297 78 1 277.2871 226 3 278.2939 128 1 280.273 92 1 290.0539 94 1 293.1273 100 1 295.3006 598 8 296.3064 176 2 317.2332 88 1 327.0899 94 1 338.3417 4958 68 339.3254 24752 340 340.3294 5042 69 341.332 420 5 345.1346 80 1 355.2811 792 10 355.3099 98 1 356.3522 72556 999 358.3087 100 1 358.357 1822 25 //