ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011625
RECORD_TITLE: 3-(3-HYDROXYPHENYL)PROPIONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-(3-HYDROXYPHENYL)PROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: OC(=O)CCc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
CH$LINK: INCHIKEY QVWAEZJXDYOKEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00211154

AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01b9-1900000000-77779ae60312f591e17e
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  65 1.71 17
  77 8.97 90
  78 1.12 11
  79 1.95 20
  91 8.12 81
  92 1.8 18
  93 3.1 31
  94 3.01 30
  95 1.15 12
  103 5.01 50
  107 37.27 373
  108 2.79 28
  119 1.91 19
  120 51.25 513
  121 45.87 459
  122 4.12 41
  147 1.17 12
  148 1.62 16
  149 3.48 35
  166 99.99 999
  167 10.78 108
  168 1.22 12
//