ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010386
RECORD_TITLE: (L)-3-PHENYLLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: (L)-3-PHENYLLACETIC ACID
CH$NAME: (L)-2-HYDROXY-3-PHENYLPROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: OC(=O)C([H])(O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
CH$LINK: INCHIKEY VOXXWSYKYCBWHO-QMMMGPOBSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9100000000-c22a5f17e7fecfb666f2
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  43 3 30
  45 1 10
  55 1 10
  56 0.12 1
  57 1.9 19
  58 1 10
  60 1.4 14
  65 0.29 3
  69 1.6 16
  70 1 10
  71 1.3 13
  77 0.2 2
  78 1 10
  79 1.3 13
  91 99.99 999
  92 0.97 10
  113 6.5 65
  121 6 60
  147 3.2 32
  148 2.39 24
  149 3.3 33
  166 3 30
//