ACCESSION: MSBNK-EPA-ENTACT_AGILENT002438
RECORD_TITLE: Myristyl sulfate; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Myristyl sulfate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₃₀O₄S
CH$EXACT_MASS: 294.1864801762
CH$SMILES: CCCCCCCCCCCCCCOS(O)(=O)=O
CH$IUPAC: InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)
CH$LINK: CAS 4754-44-3
CH$LINK: INCHIKEY URLJMZWTXZTZRR-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$FOCUSED_ION: PRECURSOR_M/Z 293.1792037245
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-a3f4b5f87075312e37c0
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  79.957363 9.02462 90
  95.952278 2.364966 23
  96.960103 99.999996 999
  96.996488 4.184798 41
  97.011744 2.156608 21
//