MassBank Record: MSBNK-EPA-ENTACT_AGILENT000503

5-Methoxy-5-oxopentanoic acid; ESI-QTOF; MS2; CE: 40; [M-H]-

---

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000503
RECORD_TITLE: 5-Methoxy-5-oxopentanoic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

---

CH$NAME: 5-Methoxy-5-oxopentanoic acid
CH$NAME: DTXSID4044589
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₄
CH$EXACT_MASS: 146.0579088082
CH$SMILES: COC(=O)CCCC(O)=O
CH$IUPAC: InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)
CH$LINK: CAS 1501-27-5
CH$LINK: INCHIKEY IBMRTYCHDPMBFN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:73917

---

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$FOCUSED_ION: PRECURSOR_M/Z 145.0506323565
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

---

PK$SPLASH: splash10-0006-9000000000-e63e4cba5570cc74ff66
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  41.003288 100.000004 999
  41.039674 1.120293 11
  69.034588 2.199161 21
//