MassBank Record: CO000384



 Remifentanil; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CO000384
RECORD_TITLE: Remifentanil; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (2008.07.15, 2012.11.20)
AUTHORS: , Dennis W. Hill, Tzipporah M. Kertesz, Robert Friedman, David F. Grant
LICENSE: CC BY-SA
PUBLICATION: Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra, http://pubs.acs.org/doi/abs/10.1021/ac800548g

CH$NAME: Remifentanil CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H28N2O5 CH$EXACT_MASS: 376.19982 CH$SMILES: [H]C([H])([H])OC(=O)C([H])([H])C([H])([H])N(C([H])([H])1)C([H])([H])C([H])([H])C(C(=O)OC([H])([H])[H])(N(C(=O)C([H])([H])C([H])([H])[H])c(c([H])2)c([H])c([H])c([H])c([H])2)C([H])([H])1 CH$IUPAC: InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3 CH$LINK: PUBCHEM CID:60815 CH$LINK: INCHIKEY ZTVQQQVZCWLTDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00157826
AC$INSTRUMENT: Micromass Q-TOF II AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 377.20776 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03e9-4900000000-79234a6e65fb22f3b487 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 53.0398 391.733 39 57.0338 143.604 14 59.0493 371.897 37 71.0502 102.399 10 81.0342 4499.347 449 83.0505 160.589 16 84.0451 2366.077 236 85.0655 278.418 28 94.0669 236.37 24 113.0603 10000 999 116.0713 3462.406 346 118.0668 193.372 19 130.0679 109.669 11 131.0744 129.469 13 132.0812 323.079 32 136.076 479.986 48 142.0874 188.502 19 146.0972 2583.442 258 154.087 286.495 29 158.0978 477.729 48 168.1018 321.06 32 187.1238 269.628 27 196.0966 118.458 12 202.1233 465.851 47 228.1209 134.339 13 261.1622 100.226 10 //

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