ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009210
RECORD_TITLE: 3-PHENYLPROPIONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 3-PHENYLPROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: OC(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047064

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0udl-9300000000-faf8506e70502be88599
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  18 3.07 31
  26 1.4 14
  27 8.78 88
  29 1.1 11
  31 1.3 13
  38 1.95 20
  39 11.24 112
  41 2.82 28
  42 1.89 19
  43 2.3 23
  44 1.23 12
  45 9.79 98
  50 7.59 76
  51 18.05 181
  52 4.85 49
  53 1.93 19
  55 1.76 18
  60 3.43 34
  62 1.59 16
  63 5.79 58
  64 1.28 13
  65 12.76 128
  73 1.98 20
  74 2.08 21
  75 1.89 19
  76 1.72 17
  77 18.99 190
  78 16.76 168
  79 9.07 91
  89 2.42 24
  91 99.99 999
  92 8.02 80
  102 1.57 16
  103 9.41 94
  104 52.1 521
  105 17.72 177
  106 1.19 12
  107 1.09 11
  131 1.35 14
  150 30.15 302
  151 3.36 34
  152 1.02 10
//