MassBank Record: RP002403



 Arachidoyl Ethanolamide; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP002403
RECORD_TITLE: Arachidoyl Ethanolamide; LC-ESI-QTOF; MS2; CE: 40; 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 40 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: splash10-00y0-9001000000-ecc05baf140c176f22f4 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 52.0393 50 4 54.1282 50 4 58.0861 72 5 59.3313 60 4 61.0402 48 3 64.0637 68 5 66.2556 36 2 67.0536 4420 363 68.0578 170 13 69.0693 2450 201 71.0849 12158 999 73.0276 110 9 79.0537 114 9 81.0692 2696 221 83.085 1216 99 85.1006 3534 290 91.9999 52 4 93.0701 40 3 95.0852 2392 196 97.0626 58 4 97.1013 478 39 101.0601 46 3 109.1013 320 26 111.1171 94 7 123.1137 60 4 124.1196 62 5 132.3264 58 4 150.0174 48 3 168.1359 38 3 168.2887 68 5 184.1445 72 5 191.0464 76 6 235.0738 36 2 258.2086 36 2 270.1106 76 6 283.3014 44 3 287.1382 54 4 333.2802 50 4 338.3414 3976 326 339.3259 1046 85 339.3448 840 69 340.0113 42 3 340.3508 64 5 //