ACCESSION: MSBNK-Univ_Connecticut-CO000463
RECORD_TITLE: Tetracaine; LC-ESI-QTOF; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

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

PK$SPLASH: splash10-004i-2900000000-8fb0dc9fe24fa06781f9
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  72.0807 1801.681 180
  92.05 906.218 91
  105.0586 262.42 26
  106.0656 284.975 28
  120.0451 1030.924 103
  148.1129 238.017 24
  176.107 10000 999
  220.1335 359.328 36
//