ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007096
RECORD_TITLE: L-MENTHYL 2-METHYLBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: L-MENTHYL 2-METHYLBUTYRATE
CH$NAME: 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₈O₂
CH$EXACT_MASS: 240.20893
CH$SMILES: CCC(C)C(=O)OC([H])(C1)C([H])(C(C)C)CCC([H])(C)1
CH$IUPAC: InChI=1S/C15H28O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3/t11-,12?,13+,14-/m0/s1
CH$LINK: INCHIKEY FGHREPYEIHRUKM-FUEJHIMDSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a5i-9100000000-06b1de184280581c4051
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 10.31 103
  29 22.02 220
  39 7.46 75
  41 41.42 414
  42 2.84 28
  43 18.16 182
  53 3.94 39
  54 3.89 39
  55 31.02 310
  56 5.52 55
  57 99.99 999
  58 3.42 34
  65 1.17 12
  67 11.25 113
  68 3.96 40
  69 21.47 215
  70 1.85 19
  71 3.8 38
  77 1.41 14
  79 2.48 25
  80 2.77 28
  81 33.14 331
  82 13.24 132
  83 48.4 484
  84 3.32 33
  85 29.35 294
  86 1.44 14
  93 1.2 12
  94 4.91 49
  95 51.15 512
  96 13.75 138
  97 9.13 91
  103 2.79 28
  109 3.35 34
  110 2.21 22
  123 15.98 160
  124 1.34 13
  137 2.09 21
  138 48.73 487
  139 11.48 115
//