ACCESSION: MSBNK-EPA-ENTACT_AGILENT000754
RECORD_TITLE: tert-Butyl hydrogen phthalate; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-00di-1920000000-48101d2dfd4e0888211a
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  57.034588 1.800799 17
  73.065888 7.466319 74
  77.039674 10.644166 106
  121.029503 99.999996 999
  121.065888 2.876814 28
  147.008768 45.031221 449
  165.019332 4.950641 49
  221.081932 36.19038 361
//