MassBank Record: RP003803



 Tricosanoyl 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: RP003803
RECORD_TITLE: Tricosanoyl 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 38

CH$NAME: Tricosanoyl Ethanolamide CH$NAME: Tricosanoyl-EA CH$NAME: N-(2-hydroxyethyl)tricosanamide CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C25H51NO2 CH$EXACT_MASS: 397.39198 CH$SMILES: O=C(CCCCCCCCCCCCCCCCCCCCCC)NCCO CH$IUPAC: InChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-23-24-27/h27H,2-24H2,1H3,(H,26,28) CH$LINK: CAS 171022-15-4 CH$LINK: LIPIDMAPS LMFA08040053 CH$LINK: PUBCHEM CID:14455160 CH$LINK: INCHIKEY WFRQXTUCHBFZII-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 24842026
AC$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 8.751 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 88.0752 MS$FOCUSED_ION: PRECURSOR_M/Z 398.3993 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-9001000000-eb74261c1897dc17c256 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 62.0595 1282 999 67.0263 50 38 67.0545 48 37 81.0705 184 143 89.0575 98 76 95.0474 64 49 133.0843 58 45 269.1923 40 31 270.1966 44 34 302.1761 70 54 302.2142 40 31 308.3893 44 34 309.2193 72 56 363.2782 36 28 380.3911 66 51 381.3912 40 31 //