ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006276
RECORD_TITLE: HYDROCINNAMIC 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$NAME: HYDROCINNAMIC ACID
CH$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: CAS 501-52-0
CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047064

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0udl-9600000000-685b73e7f17a8be64f76
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  38 1.25 13
  39 7.37 74
  40 0.54 5
  41 1.17 12
  42 1.32 13
  45 7.64 76
  50 4.93 49
  51 11.73 117
  52 2.85 29
  53 1.39 14
  62 1.6 16
  63 5.36 54
  64 1.05 11
  65 9.98 100
  66 0.84 8
  73 0.51 5
  74 2.18 22
  75 1.69 17
  76 1.73 17
  77 16.7 167
  78 15.84 158
  79 9.25 93
  80 0.61 6
  89 2.62 26
  90 0.97 10
  91 99.99 999
  92 7.97 80
  102 1.85 19
  103 10.81 108
  104 63.47 635
  105 21.18 212
  106 1.6 16
  107 1.26 13
  131 1.87 19
  132 0.9 9
  133 1.04 10
  150 48.41 484
  151 4.87 49
  152 0.4 4
//