ACCESSION: MSBNK-BGC_Munich-RP002401
RECORD_TITLE: Arachidoyl 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 24

CH$NAME: Arachidoyl Ethanolamide
CH$NAME: N-(2-hydroxyethyl)icosanamide
CH$COMPOUND_CLASS: N/A; Metabolomics Standard
CH$FORMULA: C₂₂H₄₅NO₂
CH$EXACT_MASS: 355.34503
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)NCCO
CH$IUPAC: InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-21H2,1H3,(H,23,25)
CH$LINK: CAS 94421-69-9
CH$LINK: CHEBI 85253
CH$LINK: LIPIDMAPS LMFA08040038
CH$LINK: PUBCHEM CID:3787294
CH$LINK: INCHIKEY AUJVQJHODMISJP-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 3015157
CH$LINK: COMPTOX DTXSID10396406

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$CHROMATOGRAPHY: RETENTION_TIME 7.769 min
AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid
AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid

MS$FOCUSED_ION: BASE_PEAK 356.3519
MS$FOCUSED_ION: PRECURSOR_M/Z 356.3523
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$SPLASH: splash10-0a4i-0009000000-e3ff25692156796b2014
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  338.3412 332 1
  339.3256 1150 3
  340.3304 346 1
  355.2807 706 2
  356.3522 316338 999
  358.3587 9472 29
//