MassBank Record: MSBNK-EPA-ENTACT_AGILENT002293

Citronellic acid; ESI-QTOF; MS2; CE: 10; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002293
RECORD_TITLE: Citronellic acid; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Citronellic acid
CH$NAME: DTXSID1047106
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.1306798188
CH$SMILES: CC(C)=CCCC(C)CC(O)=O
CH$IUPAC: InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
CH$LINK: CAS 502-47-6
CH$LINK: INCHIKEY GJWSUKYXUMVMGX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10402

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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 10

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MS$FOCUSED_ION: PRECURSOR_M/Z 169.1234033671
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-014i-0900000000-9603190d3d60232d315f
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  151.112839 2.177921 21
  169.123403 100.000004 999
//