ACCESSION: MSBNK-EPA-ENTACT_AGILENT000719
RECORD_TITLE: Sulfuric acid, monooctadecyl ester; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Sulfuric acid, monooctadecyl ester
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₈O₄S
CH$EXACT_MASS: 350.2490804314
CH$SMILES: CCCCCCCCCCCCCCCCCCOS(O)(=O)=O
CH$IUPAC: InChI=1S/C18H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H,19,20,21)
CH$LINK: CAS 143-03-3
CH$LINK: INCHIKEY HVWGGPRWKSHASF-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 349.2418039797
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-6fb5429cc730d2ae5b40
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  79.957363 3.551779 35
  96.960103 99.999998 999
  96.996488 4.623061 46
  97.011744 2.304447 23
  349.241804 2.777209 27
//