MassBank Record: MSBNK-EPA-ENTACT_AGILENT002327

Hydrocinnamic acid; ESI-QTOF; MS2; CE: 20; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002327
RECORD_TITLE: Hydrocinnamic acid; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Hydrocinnamic acid
CH$NAME: DTXSID2047064
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.0680795636
CH$SMILES: OC(=O)CCC1C=CC=CC=1
CH$IUPAC: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
CH$LINK: CAS 501-52-0
CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:107

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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 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 151.0753560153
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-004i-9000000000-f28cdea4a7e1b53d58fc
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  43.017841 1.331133 13
  45.033491 5.256749 52
  61.007276 6.339991 63
  62.015101 3.974836 39
  63.994366 21.226635 212
  79.017841 100.000003 999
  79.054227 2.028495 20
//