MassBank Record: RP003003



 Myristoyl 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: RP003003
RECORD_TITLE: Myristoyl 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$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$CHROMATOGRAPHY: RETENTION_TIME 6.104 min AC$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$SPLASH: splash10-03di-9000000000-565a01c98406544470ae PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 52.2187 36 1 53.0389 44 1 55.1695 44 1 57.0693 10414 295 62.0595 35176 999 63.1743 42 1 65.0382 334 9 66.1855 68 1 67.0537 5522 156 69.0693 2354 66 71.085 7170 203 73.0276 144 4 79.054 352 9 81.0694 2588 73 83.0849 334 9 85.063 66 1 85.101 996 28 87.0436 58 1 95.085 2104 59 96.0891 62 1 98.0599 76 2 109.0162 42 1 109.1019 154 4 113.1083 38 1 123.1172 46 1 123.1621 50 1 138.1363 38 1 221.0589 40 1 254.2458 344 9 255.2303 136 3 255.2529 196 5 256.1332 38 1 //