MassBank Record: RP002703



 Palmitoleoyl 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: RP002703
RECORD_TITLE: Palmitoleoyl 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 27

CH$NAME: Palmitoleoyl Ethanolamide CH$NAME: Palmitoleoyl-EA CH$NAME: (Z)-N-(2-hydroxyethyl)hexadec-9-enamide CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C18H35NO2 CH$EXACT_MASS: 297.26678 CH$SMILES: CCCCCC/C=C\CCCCCCCC(NCCO)=O CH$IUPAC: InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h7-8,20H,2-6,9-17H2,1H3,(H,19,21)/b8-7- CH$LINK: CHEBI 71465 CH$LINK: LIPIDMAPS LMFA08040043 CH$LINK: PUBCHEM CID:9835868 CH$LINK: INCHIKEY WFRLANWAASSSFV-FPLPWBNLSA-N CH$LINK: CHEMSPIDER 8011589
AC$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 6.261 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 298.2739 MS$FOCUSED_ION: PRECURSOR_M/Z 298.2741 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: splash10-001i-9000000000-9f483cbdeef752417419 PK$NUM_PEAK: 69 PK$PEAK: m/z int. rel.int. 47.1792 56 2 48.2685 66 2 50.0965 70 2 57.0323 558 22 58.1924 38 1 59.0478 88 3 59.0937 42 1 60.2323 64 2 61.0028 54 2 61.0637 86 3 70.0281 2114 84 71.0483 808 32 73.0279 320 12 73.0651 180 7 77.0382 718 28 79.0536 20204 812 81.0693 24852 999 82.0647 104 4 83.0484 914 36 83.0851 18254 733 85.0522 456 18 85.0651 250 10 86.0595 220 8 86.1539 36 1 88.0394 128 5 91.0537 1930 77 92.037 88 3 93.0697 10660 428 93.9932 40 1 94.0733 352 14 95.0476 502 20 95.0851 8862 356 96.0893 644 25 97.0645 1102 44 97.1012 3290 132 98.0598 1272 51 99.0436 344 13 99.0634 90 3 99.0804 136 5 105.0451 336 13 105.0703 352 14 107.0854 1614 64 109.0649 74 2 109.1005 984 39 110.105 88 3 119.0573 74 2 120.0577 46 1 121.1005 780 31 127.0737 46 1 135.1175 368 14 136.1198 52 2 147.1157 54 2 150.1362 68 2 151.1489 42 1 154.1223 54 2 155.0811 40 1 161.132 42 1 175.1457 42 1 183.1032 108 4 196.0166 58 2 214.2171 70 2 238.2143 56 2 243.0057 68 2 252.2679 52 2 280.2163 86 3 280.2637 1020 41 281.2488 138 5 281.269 138 5 282.2891 40 1 //