MassBank Record: RP003801



 Tricosanoyl Ethanolamide; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP003801
RECORD_TITLE: Tricosanoyl Ethanolamide; LC-ESI-QTOF; MS2; CE: 10; 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 10 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: splash10-0002-0009000000-73aeb3f01ee6a8f92815 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 62.0602 116 10 149.105 42 3 167.0618 72 6 173.0481 60 5 201.2575 46 4 213.0348 38 3 236.2935 40 3 251.1085 40 3 253.0492 38 3 260.187 66 5 272.2261 38 3 279.164 36 3 284.363 50 4 285.1845 40 3 290.1275 36 3 297.1163 36 3 306.4068 36 3 316.0846 52 4 327.9875 38 3 353.1792 54 4 358.0492 36 3 376.1983 36 3 379.3344 42 3 381.3713 50 4 396.3249 70 6 397.2388 38 3 397.2604 50 4 398.3992 11016 999 400.3109 168 15 400.3789 38 3 401.2768 86 7 401.3074 52 4 //