ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011663
RECORD_TITLE: TRICHOSTATIN A; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TRICHOSTATIN A
CH$NAME: 7-(4-(DIMETHYLAMINO)PHENYL)-N-HYDROXY-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₂N₂O₃
CH$EXACT_MASS: 302.16304
CH$SMILES: ONC(=O)C=CC(C)=CC(C)C(=O)c(c1)ccc(N(C)C)c1
CH$IUPAC: InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+
CH$LINK: INCHIKEY RTKIYFITIVXBLE-WKWSCTOISA-N

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0002-0930000000-7008314c3db5ba758a41
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  42 1.42 14
  44 1.14 11
  77 1.83 18
  79 2.77 28
  105 2.46 25
  118 1.03 10
  119 2.63 26
  120 3.95 40
  121 2.68 27
  134 1.61 16
  148 99.99 999
  149 7.13 71
  177 3.68 37
  199 1.42 14
  200 1.48 15
  214 1.26 13
  225 1 10
  228 15.75 158
  229 2.98 30
  240 1.38 14
  243 1.93 19
  256 1.83 18
  274 1.46 15
  286 5.58 56
  287 7.33 73
  288 1.65 17
//