ACCESSION: MSBNK-EPA-ENTACT_AGILENT000660
RECORD_TITLE: Ethyl 3-hydroxybenzoate; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Ethyl 3-hydroxybenzoate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.0629941859
CH$SMILES: CCOC(=O)C1C=CC=C(O)C=1
CH$IUPAC: InChI=1S/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
CH$LINK: CAS 7781-98-8
CH$LINK: INCHIKEY MWSMNBYIEBRXAL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:24522

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

PK$SPLASH: splash10-0006-9000000000-dd6f73f596f078879a85
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  39.024024 3.531032 35
  41.003288 1.878899 18
  43.018938 1.595662 15
  65.039674 32.437649 324
  67.018938 1.209616 12
  75.024024 2.402671 24
  92.026763 99.999998 999
  92.063149 1.763307 17
  93.034588 69.653449 695
  93.055718 1.784254 17
//