ACCESSION: MSBNK-EPA-ENTACT_AGILENT000427
RECORD_TITLE: tert-Butyl 4-hydroxybenzoate; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: tert-Butyl 4-hydroxybenzoate
CH$NAME: DTXSID7044895
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₃
CH$EXACT_MASS: 194.0942943135
CH$SMILES: CC(C)(C)OC(=O)C1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7,12H,1-3H3
CH$LINK: CAS 25804-49-3
CH$LINK: INCHIKEY WHWMOMRHHQLBQQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:117640

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 20

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$SPLASH: splash10-0006-9400000000-b7ff8abf13e48b799574
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  57.034588 1.236641 12
  65.039674 1.048786 10
  92.026763 62.141539 620
  92.063149 1.372305 13
  93.034588 99.999999 999
  93.070974 2.628929 26
  136.016593 12.583787 125
  137.024418 65.814286 657
  193.087018 10.213817 102
//