ACCESSION: MSBNK-EPA-ENTACT_AGILENT000536
RECORD_TITLE: sec-Butylparaben; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: sec-Butylparaben
CH$NAME: DTXSID5044607
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₃
CH$EXACT_MASS: 194.0942943135
CH$SMILES: CC(CC)OC(=O)C1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C11H14O3/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h4-8,12H,3H2,1-2H3
CH$LINK: CAS 17696-61-6
CH$LINK: INCHIKEY ZUOTXZHOGPQFIU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:86607

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 193.0870178618
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-1900000000-9303517df4165e5f091b
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  92.026763 13.476367 134
  93.034588 16.041039 160
  136.016593 15.366238 153
  137.024418 41.79205 417
  193.087018 99.999997 999
//