ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011626
RECORD_TITLE: 3-(4-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$NAME: 3-(4-HYDROXYPHENYL)PROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: OC(=O)CCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
CH$LINK: CAS 501-97-3
CH$LINK: NIKKAJI J1.565B
CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2075427

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$SPLASH: splash10-066r-9800000000-44e113d8fc2602ffba88
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  17 3.66 37
  18 79.83 798
  28 29.02 290
  32 7.44 74
  39 1 10
  41 5.09 51
  42 2.1 21
  43 4.18 42
  44 3.21 32
  45 2.4 24
  51 2.16 22
  53 1.15 12
  55 2.61 26
  56 2.91 29
  57 2.01 20
  60 2.97 30
  61 2.08 21
  63 1.19 12
  65 2.26 23
  69 1.32 13
  73 1.65 17
  77 7.36 74
  78 1.7 17
  81 1.03 10
  82 1.02 10
  83 1.17 12
  91 3.77 38
  94 1.26 13
  95 1.18 12
  103 1.07 11
  107 99.99 999
  108 7.84 78
  119 2.54 25
  120 5.8 58
  121 1.87 19
  123 1.39 14
  138 7.98 80
  139 1.09 11
  166 33.08 331
  167 3.32 33
//