ACCESSION: MSBNK-EPA-ENTACT_AGILENT000428
RECORD_TITLE: tert-Butyl 4-hydroxybenzoate; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-739a97774df1c101dfb1
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  41.003288 1.002477 10
  57.034588 4.39298 43
  65.039674 6.862467 68
  92.026763 65.367057 653
  92.063149 1.441228 14
  93.034588 100.000002 999
  93.070974 2.589774 25
//