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MassBank Record: CO000464

Tetracaine; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: CO000464
RECORD_TITLE: Tetracaine; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.07.15, modified 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$NAME: Tetracaine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24N2O2
CH$EXACT_MASS: 264.18378
CH$SMILES: [H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])c(c([H])1)c([H])c([H])c(C(=O)OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])c([H])1
CH$IUPAC: InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
CH$LINK: PUBCHEM CID:5411
CH$LINK: INCHIKEY GKCBAIGFKIBETG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1043883

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$FOCUSED_ION: PRECURSOR_M/Z 265.19172
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00fu-8900000000-13f5e95cf7277be78720
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  57.0671 524.986 52
  65.0387 2123.793 212
  70.0655 886.286 89
  72.0816 6652.47 665
  77.0403 132.467 13
  79.0553 498.438 50
  91.0558 343.839 34
  92.0506 10000 999
  93.0627 329.926 33
  94.0668 286.059 29
  104.0515 211.102 21
  105.0587 4219.194 421
  106.0664 1672.345 167
  110.0609 939.239 94
  118.0664 806.644 81
  119.0766 491.34 49
  120.0459 5709.824 570
  132.0825 249.148 25
  133.0878 383.731 38
  148.1143 417.376 42
  176.1087 8405.735 840
//

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