ACCESSION: MSBNK-Waters-WA000941
RECORD_TITLE: Bupivacaine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Bupivacaine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₈N₂O
CH$EXACT_MASS: 288.22016
CH$SMILES: CCCCN(C2)C(CCC2)C(=O)Nc(c(C)1)c(C)ccc1
CH$IUPAC: InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
CH$LINK: CAS 2180-92-9
CH$LINK: INCHIKEY LEBVLXFERQHONN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2022703

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 13.240 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0006-0920000000-93880b3a76863a584e48
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  140 999 999
  141 121 121
  150 8 8
  289 266 266
  290 47 47
//