MassBank Record: RP003002



 Myristoyl 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: RP003002
RECORD_TITLE: Myristoyl 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 30

CH$NAME: Myristoyl Ethanolamide CH$NAME: 142-58-5 CH$NAME: N-(2-hydroxyethyl)tetradecanamide CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C16H33NO2 CH$EXACT_MASS: 271.25113 CH$SMILES: O=C(CCCCCCCCCCCCC)NCCO CH$IUPAC: InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19) CH$LINK: CAS 142-58-5 CH$LINK: CHEBI 85262 CH$LINK: LIPIDMAPS LMFA08040042 CH$LINK: PUBCHEM CID:8890 CH$LINK: INCHIKEY JHIXEZNTXMFXEK-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 8551
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$CHROMATOGRAPHY: RETENTION_TIME 6.104 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 272.2577 MS$FOCUSED_ION: PRECURSOR_M/Z 272.2584 MS$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$SPLASH: splash10-0ab9-6090000000-18459fe7bd22832fa1a8 PK$NUM_PEAK: 74 PK$PEAK: m/z int. rel.int. 56.1436 42 1 58.0868 38 1 60.1142 60 2 60.1869 54 2 61.0079 46 2 64.0637 368 16 66.0465 60 2 67.0537 1862 85 69.0694 3394 155 71.0851 11452 525 74.1171 42 1 79.0536 42 1 79.0984 38 1 79.1106 38 1 81.0695 2524 115 83.0852 1096 50 85.1007 4542 208 94.0737 48 2 95.085 3444 157 96.0893 194 8 97.1006 564 25 97.1223 58 2 101.2467 68 3 103.0005 74 3 109.1012 1376 63 111.1168 470 21 116.2496 86 3 117.245 42 1 118.1099 82 3 122.047 60 2 123.1165 288 13 125.1328 54 2 130.075 36 1 131.1169 40 1 134.1285 38 1 149.1531 46 2 151.1473 116 5 155.0116 48 2 159.1867 46 2 160.0283 44 2 166.0638 66 3 171.1591 70 3 174.0788 56 2 175.1453 70 3 178.077 38 1 184.1062 44 2 184.2199 74 3 185.1554 48 2 186.2421 60 2 193.1527 58 2 193.1937 48 2 197.1425 66 3 199.075 68 3 201.1582 66 3 203.1561 38 1 204.2675 64 2 205.146 80 3 206.106 40 1 211.2058 1814 83 217.0267 74 3 219.1378 40 1 221.0796 38 1 223.9885 38 1 233.0121 42 1 235.2302 64 2 236.1763 58 2 240.1277 80 3 243.2677 50 2 251.0341 38 1 254.2473 8190 375 255.2313 21782 999 258.2653 46 2 272.2585 6134 281 277.1409 38 1 //