ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011253
RECORD_TITLE: 2-(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$NAME: 2-(TRIFLUOROMETHYL)CINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₇F₃O₂
CH$EXACT_MASS: 216.03981
CH$SMILES: OC(=O)C=Cc(c1)c(ccc1)C(F)(F)F
CH$IUPAC: InChI=1S/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+
CH$LINK: INCHIKEY AMVYAIXPAGBXOM-AATRIKPKSA-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$SPLASH: splash10-0002-0900000000-a11abb83f89a5512533a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  45 1.6 16
  71 1.5 15
  77 1.4 14
  91 7.4 74
  101 2.2 22
  102 2.2 22
  103 13.1 131
  104 1.5 15
  119 1.1 11
  120 1.8 18
  125 0.9 9
  127 1.2 12
  133 3.1 31
  140 2.2 22
  145 1.1 11
  147 99.99 999
  148 12.6 126
  149 2.9 29
  151 41.3 413
  152 4.4 44
  155 1.5 15
  159 1.2 12
  167 1.2 12
  168 2.8 28
  169 3.4 34
  170 2.9 29
  171 2.6 26
  199 3.6 36
  215 4.2 42
  216 16.7 167
  217 2 20
//