ACCESSION: MSBNK-EPA-ENTACT_AGILENT002132
RECORD_TITLE: 4-Methylphthalic anhydride; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Methylphthalic anhydride
CH$NAME: DTXSID5027805
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆O₃
CH$EXACT_MASS: 162.0316940583
CH$SMILES: CC1=CC2=C(C=C1)C(=O)OC2=O
CH$IUPAC: InChI=1S/C9H6O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3
CH$LINK: CAS 19438-61-0
CH$LINK: INCHIKEY ZOXBWJMCXHTKNU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:88069

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 163.03897051
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0900000000-d141d01d0db700b98270
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  77.038577 4.509318 45
  79.054227 1.70586 17
  107.049141 4.768974 47
  135.044056 13.463512 134
  163.038971 99.999999 999
//