MassBank Record: MSBNK-EPA-ENTACT_AGILENT000847

(2-Methylphenoxy)acetic acid; ESI-QTOF; MS2; CE: 40; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000847
RECORD_TITLE: (2-Methylphenoxy)acetic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: (2-Methylphenoxy)acetic acid
CH$NAME: DTXSID9041441
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.0629941859
CH$SMILES: CC1C=CC=CC=1OCC(O)=O
CH$IUPAC: InChI=1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
CH$LINK: CAS 1878-49-5
CH$LINK: INCHIKEY QJVXBRUGKLCUMY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:74651

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 165.0557177342
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0a4i-0900000000-6ba4eeea167827b3c93b
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  41.003288 1.135698 11
  64.031849 1.367062 13
  77.039674 1.456948 14
  79.055324 2.116974 21
  92.026763 3.671003 36
  106.042413 24.390421 243
  107.050238 99.999996 999
//