MassBank Record: RP004103



 Arachidonoyl 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: RP004103
RECORD_TITLE: Arachidonoyl 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 41

CH$NAME: Arachidonoyl Ethanolamide CH$NAME: Anandamide CH$NAME: (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C22H37NO2 CH$EXACT_MASS: 347.28243 CH$SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO CH$IUPAC: InChI=1S/C22H37NO2/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/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- CH$LINK: CAS 94421-68-8 CH$LINK: CHEBI 2700 CH$LINK: KEGG C11695 CH$LINK: LIPIDMAPS LMFA08040001 CH$LINK: PUBCHEM CID:5281969 CH$LINK: INCHIKEY LGEQQWMQCRIYKG-DOFZRALJSA-N CH$LINK: CHEMSPIDER 4445241
AC$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 6.390 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 88.0755 MS$FOCUSED_ION: PRECURSOR_M/Z 348.2897 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: splash10-03xr-9100000000-4b7c17f5a8fe273137f3 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 55.054 260 63 60.0441 108 26 62.0598 4118 999 65.0382 148 35 66.2919 40 9 67.0539 2488 603 69.0336 40 9 69.07 654 158 70.0281 412 99 77.0381 118 28 79.0536 1740 422 80.0577 212 51 81.0698 1362 330 82.0647 46 11 82.0733 154 37 83.0489 176 42 83.0857 138 33 88.0387 80 19 91.0139 66 16 91.0538 1188 288 93.0701 438 106 95.0484 54 13 95.0853 500 121 103.0544 74 17 105.0696 240 58 119.0847 58 14 120.0926 62 15 131.0852 104 25 133.0999 96 23 143.0848 100 24 145.0857 66 16 145.1005 44 10 146.1037 86 20 147.0813 70 16 147.1182 86 20 149.0953 60 14 157.101 120 29 159.1155 62 15 160.1262 54 13 161.1321 122 29 166.0048 42 10 166.1228 36 8 172.1236 46 11 192.1361 44 10 //