ACCESSION: MSBNK-BGC_Munich-RP002701
RECORD_TITLE: Palmitoleoyl 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 27

CH$NAME: Palmitoleoyl Ethanolamide
CH$NAME: Palmitoleoyl-EA
CH$NAME: (Z)-N-(2-hydroxyethyl)hexadec-9-enamide
CH$COMPOUND_CLASS: N/A; Metabolomics Standard
CH$FORMULA: C₁₈H₃₅NO₂
CH$EXACT_MASS: 297.26678
CH$SMILES: CCCCCC/C=C\CCCCCCCC(NCCO)=O
CH$IUPAC: InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h7-8,20H,2-6,9-17H2,1H3,(H,19,21)/b8-7-
CH$LINK: CHEBI 71465
CH$LINK: LIPIDMAPS LMFA08040043
CH$LINK: PUBCHEM CID:9835868
CH$LINK: INCHIKEY WFRLANWAASSSFV-FPLPWBNLSA-N
CH$LINK: CHEMSPIDER 8011589

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$CHROMATOGRAPHY: RETENTION_TIME 6.261 min
AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid
AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid

MS$FOCUSED_ION: BASE_PEAK 298.2739
MS$FOCUSED_ION: PRECURSOR_M/Z 298.2741
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$SPLASH: splash10-0002-0090000000-8e9b8b919ddfac9f7bc4
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  219.2115 1120 1
  237.222 936 1
  280.2634 2610 3
  281.2479 15702 20
  298.274 757560 999
//