ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007234
RECORD_TITLE: 2-(4-HYDROXYPHENYL)ETHANOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(4-HYDROXYPHENYL)ETHANOIC ACID
CH$NAME: P-HYDROXYPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: OC(=O)Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5059745

AC$INSTRUMENT: HITACHI M-52
AC$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$SPLASH: splash10-0a4i-6900000000-fdb73325a31c758496e9
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  39 4.8 48
  40 1.2 12
  41 5.6 56
  42 0.2 2
  43 6 60
  44 1.2 12
  45 2 20
  49 0.12 1
  50 4 40
  51 5.6 56
  52 3.6 36
  53 0.32 3
  54 1.2 12
  55 6 60
  56 1.2 12
  57 0.92 9
  58 1.2 12
  67 2.8 28
  68 1.6 16
  69 5.2 52
  70 0.12 1
  71 4 40
  73 3.2 32
  74 1.6 16
  77 1.64 16
  78 4 40
  79 5.6 56
  81 2.4 24
  82 0.16 2
  83 2.8 28
  84 1.2 12
  85 2.4 24
  91 0.32 3
  95 1.6 16
  96 1.6 16
  97 1.6 16
  98 0.12 1
  99 1.2 12
  101 1.2 12
  105 1.6 16
  107 99.99 999
  108 10.8 108
  109 2.8 28
  111 1.2 12
  119 0.16 2
  121 1.2 12
  123 1.2 12
  127 1.2 12
  129 0.2 2
  135 1.2 12
  147 1.2 12
  149 2.8 28
  152 3.24 32
  153 2.8 28
//