MassBank Record: JP006361

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(1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(4-METHOXYPHENYL)ETHYL)-CYCLOHEXANE-1-YL ACRYLATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP006361
RECORD_TITLE: (1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(4-METHOXYPHENYL)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$NAME: (1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(4-METHOXYPHENYL)ETHYL)-CYCLOHEXANE-1-YL ACRYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H28O3
CH$EXACT_MASS: 316.2038400000000137879396788775920867919921875
CH$SMILES: C=CC(=O)OC([H])(C2)C([H])(CCC([H])(C)2)C(C)(C)c(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C20H28O3/c1-6-19(21)23-18-13-14(2)7-12-17(18)20(3,4)15-8-10-16(22-5)11-9-15/h6,8-11,14,17-18H,1,7,12-13H2,2-5H3/t14-,17-,18-/m1/s1
CH$LINK: INCHIKEY SSBMCNGYTXITRG-ZTFGCOKTSA-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$SPLASH: splash10-006x-5901000000-33eb126c6bf5535ce874
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  39 12.78 128
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  65 10.28 103
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  95 11.94 119
  103 13.21 132
  105 10.86 109
  106 6.46 65
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  109 51.44 514
  115 10.72 107
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  128 5.44 54
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  135 32.49 325
  147 5.28 53
  148 35.46 355
  151 10.8 108
  159 5.61 56
  161 15.71 157
  173 5.5 55
  316 39.8 398
  317 8.04 80
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