MassBank Record: MSBNK-Waters-WA000591

Thiopental; LC-ESI-Q; MS; NEG; 15 V, 30 V

---

ACCESSION: MSBNK-Waters-WA000591
RECORD_TITLE: Thiopental; LC-ESI-Q; MS; NEG; 15 V, 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

---

CH$NAME: Thiopental
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈N₂O₂S
CH$EXACT_MASS: 242.10890
CH$SMILES: CCCC(C)C(CC)(C(=O)1)C(=O)NC(=S)N1
CH$IUPAC: InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
CH$LINK: CAS 76-75-5
CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023653

---

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 16.520 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 15 V, 30 V

---

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

---

PK$SPLASH: splash10-0006-0090000000-1210d653ce6c135fb7a0
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  101 35 35
  241 999 999
  242 129 129
  243 51 51
  257 43 43
//