ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010388
RECORD_TITLE: ALPHA-PHENYLCINNAMIC 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$NAME: ALPHA-PHENYLCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₂O₂
CH$EXACT_MASS: 224.08373
CH$SMILES: OC(=O)C(=Cc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+
CH$LINK: INCHIKEY BIDDLDNGQCUOJQ-SDNWHVSQSA-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$SPLASH: splash10-00fr-2980000000-ed6750beb87c05f28538
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  41 1.3 13
  43 3.9 39
  44 1 10
  45 0.1 1
  55 1.5 15
  56 1.8 18
  57 2.6 26
  58 0.19 2
  60 2 20
  69 2.3 23
  70 1.6 16
  71 0.18 2
  73 1.1 11
  77 1.2 12
  78 1.1 11
  79 0.89 9
  81 1.4 14
  83 1.4 14
  84 1 10
  85 0.13 1
  90 12.2 122
  91 3.7 37
  94 1.1 11
  97 0.1 1
  102 2.6 26
  105 2 20
  107 15.2 152
  108 0.15 2
  118 36.1 361
  119 4.9 49
  120 1 10
  149 0.1 1
  152 1.5 15
  164 1 10
  165 3.3 33
  167 0.17 2
  176 1.1 11
  177 5.4 54
  178 36.2 362
  179 7.21 72
  180 15 150
  181 1.9 19
  205 8.1 81
  206 0.38 4
  207 1.5 15
  209 1.2 12
  222 1.2 12
  223 0.6 6
  224 99.99 999
  225 17.5 175
  226 2 20
//