ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011251
RECORD_TITLE: TRANS-4-(TRIFLUOROMETHYL)CINNAMIC 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$NAME: TRANS-4-(TRIFLUOROMETHYL)CINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₇F₃O₂
CH$EXACT_MASS: 216.03981
CH$SMILES: OC(=O)C=Cc(c1)ccc(c1)C(F)(F)F
CH$IUPAC: InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
CH$LINK: INCHIKEY ANRMAUMHJREENI-ZZXKWVIFSA-N

AC$INSTRUMENT: SHIMADZU QP-1000EX
AC$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$SPLASH: splash10-014i-1890000000-632482b5f3feeeb3e4eb
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  42 2.5 25
  43 1.3 13
  44 0.8 8
  45 1.8 18
  54 1.8 18
  55 1.2 12
  69 2.3 23
  70 1 10
  71 2.6 26
  77 1.7 17
  91 10.1 101
  92 0.8 8
  95 1.2 12
  96 0.9 9
  101 1.5 15
  102 7.5 75
  103 4.7 47
  109 1.6 16
  119 8.1 81
  120 2.6 26
  121 0.8 8
  127 2.5 25
  140 0.7 7
  145 5.2 52
  146 1.5 15
  147 27.5 275
  148 2.7 27
  151 30.8 308
  152 3.3 33
  159 7.4 74
  160 0.9 9
  169 3.1 31
  170 12.3 123
  171 22.4 224
  172 2.5 25
  173 2 20
  175 1.9 19
  187 1.4 14
  188 2.9 29
  197 6.3 63
  198 7.2 72
  199 22 220
  200 2.4 24
  215 89.6 896
  216 99.99 999
  217 10.7 107
  218 0.9 9
//