ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006364
RECORD_TITLE: (1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(2'-NAPHTHYL)ETHYL)-CYCLOHEXANE-1-YL ACRYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(2'-NAPHTHYL)ETHYL)-CYCLOHEXANE-1-YL ACRYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₈O₂
CH$EXACT_MASS: 336.20893
CH$SMILES: C=CC(=O)OC([H])(C3)C([H])(CCC([H])(C)3)C(C)(C)c(c1)cc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C23H28O2/c1-5-22(24)25-21-14-16(2)10-13-20(21)23(3,4)19-12-11-17-8-6-7-9-18(17)15-19/h5-9,11-12,15-16,20-21H,1,10,13-14H2,2-4H3/t16-,20-,21-/m1/s1
CH$LINK: INCHIKEY NSKRHMFLTQEJFU-MAODMQOUSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-014i-1900000000-683529f7108dd6034305
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  32 4.02 40
  41 4.03 40
  55 9.14 91
  69 1.07 11
  81 1.36 14
  95 2.7 27
  115 1.19 12
  127 0.01 0
  128 3.72 37
  129 4.47 45
  141 13.93 139
  142 1.54 15
  149 2.32 23
  152 2.16 22
  153 2.52 25
  154 1.75 18
  155 4.31 43
  165 1.61 16
  167 4.14 41
  168 9.04 90
  169 99.99 999
  170 16.18 162
  171 1.12 11
  178 1.64 16
  179 1.16 12
  264 1.76 18
  265 1.02 10
  336 0.68 7
  337 1.73 17
//