ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006411
RECORD_TITLE: MENTHYL BUTYRATE; 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$NAME: MENTHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₂
CH$EXACT_MASS: 226.19328
CH$SMILES: CCCC(=O)OC(C1)C(CCC(C)1)C(C)C
CH$IUPAC: InChI=1S/C14H26O2/c1-5-6-14(15)16-13-9-11(4)7-8-12(13)10(2)3/h10-13H,5-9H2,1-4H3
CH$LINK: INCHIKEY PHCRRQSBYWJFBQ-UHFFFAOYSA-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$SPLASH: splash10-007y-9100000000-a0c4a9b5568cfb0bfb88
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  27 18.77 188
  29 11.13 111
  39 10.82 108
  40 1.44 14
  41 46.38 464
  42 6.49 65
  43 84.75 848
  44 2.84 28
  53 5.68 57
  54 4.81 48
  55 32.52 325
  56 4.31 43
  57 11.54 115
  60 1.07 11
  67 14.05 141
  68 7.13 71
  69 17.81 178
  70 3.99 40
  71 99.99 999
  72 3.69 37
  77 1.85 19
  79 3.26 33
  80 4.81 48
  81 49.3 493
  82 22.9 229
  83 25.55 256
  84 2.23 22
  85 1.33 13
  89 2.9 29
  91 1.22 12
  93 1.16 12
  94 11.08 111
  95 84.34 843
  96 22.67 227
  97 5.47 55
  109 7.46 75
  110 4.59 46
  111 1.4 14
  113 1.68 17
  123 30.16 302
  124 2.87 29
  128 1.08 11
  137 2.5 25
  138 67.59 676
  139 11.96 120
  141 1.55 16
//