ACCESSION: MSBNK-EPA-ENTACT_AGILENT000755
RECORD_TITLE: tert-Butyl hydrogen phthalate; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: tert-Butyl hydrogen phthalate
CH$NAME: DTXSID1047150
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₄
CH$EXACT_MASS: 222.0892089358
CH$SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C(O)=O
CH$IUPAC: InChI=1S/C12H14O4/c1-12(2,3)16-11(15)9-7-5-4-6-8(9)10(13)14/h4-7H,1-3H3,(H,13,14)
CH$LINK: CAS 33693-84-4
CH$LINK: INCHIKEY PBUQZKXKYSAJDO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:134976

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$FOCUSED_ION: PRECURSOR_M/Z 221.0819324841
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-ded794e9f8876e25fd97
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  57.034588 10.479875 104
  75.024024 38.579764 385
  77.039674 99.999998 999
  77.081932 1.206131 12
  103.018938 1.011933 10
  121.029503 7.138284 71
  147.008768 1.088766 10
//