ACCESSION: MSBNK-BGC_Munich-RP003001
RECORD_TITLE: Myristoyl 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 30

CH$NAME: Myristoyl Ethanolamide
CH$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$LINK: CHEMSPIDER 8551
CH$LINK: COMPTOX DTXSID0042452

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$CHROMATOGRAPHY: RETENTION_TIME 6.104 min
AC$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$SPLASH: splash10-00di-0090000000-c1ad0a8f5749fad9ae9b
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  211.2047 600 2
  254.2467 840 3
  255.2314 8458 31
  272.2577 267960 999
  274.2638 4194 15
//