MassBank Record: RP003802



 Tricosanoyl 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: RP003802
RECORD_TITLE: Tricosanoyl 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 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 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 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: splash10-0002-0009000000-2b64e3d7f93fb7d9e7a7 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 89.0599 82 25 151.1475 42 13 185.0695 36 11 208.0822 38 11 211.1487 38 11 225.1953 36 11 250.0954 46 14 251.1035 42 13 261.316 60 18 278.2235 52 16 283.3337 40 12 305.1878 54 16 309.1214 44 13 321.351 82 25 330.2792 38 11 331.1652 54 16 331.2155 56 17 345.3508 40 12 355.2878 40 12 366.293 78 24 374.0832 62 19 380.3836 82 25 381.3714 358 112 382.3804 66 20 383.3769 96 30 388.3425 42 13 389.0805 50 15 393.3887 46 14 397.2756 76 23 397.3304 74 23 398.3988 3192 999 400.31 284 88 //