ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006513
RECORD_TITLE: MENTHYL PENTANOATE; 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$NAME: MENTHYL PENTANOATE
CH$NAME: MENTHYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₈O₂
CH$EXACT_MASS: 240.20893
CH$SMILES: CCCCC(=O)OC(C1)C(CCC(C)1)C(C)C
CH$IUPAC: InChI=1S/C15H28O2/c1-5-6-7-15(16)17-14-10-12(4)8-9-13(14)11(2)3/h11-14H,5-10H2,1-4H3
CH$LINK: INCHIKEY LCJPVSLESAPYMK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10275767

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$SPLASH: splash10-053j-9100000000-d7faa622bb6a68046ea2
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  15 2.35 24
  18 7.4 74
  27 15.39 154
  28 16.79 168
  29 20.84 208
  30 1.12 11
  40 8.16 82
  41 44.19 442
  42 6.91 69
  43 22.22 222
  44 2.54 25
  45 1.81 18
  51 3.32 33
  53 9.21 92
  54 6.84 68
  55 37.69 377
  56 8.11 81
  57 61.61 616
  58 3.94 39
  59 2.37 24
  60 2.67 27
  65 3.47 35
  66 1.46 15
  67 24.86 249
  68 10.33 103
  69 17.77 178
  70 3.21 32
  71 4.94 49
  77 5.44 54
  78 1.12 11
  79 8.33 83
  80 8.16 82
  81 63.37 634
  82 23.03 230
  83 24.87 249
  84 3.62 36
  85 63.71 637
  86 4.49 45
  91 3.66 37
  93 4.14 41
  94 11.07 111
  95 99.99 999
  96 22.4 224
  97 6.22 62
  98 1.08 11
  100 1.08 11
  103 3.81 38
  109 7.95 80
  110 5.03 50
  111 2.59 26
  112 1.4 14
  123 29 290
  124 3.9 39
  127 1.1 11
  137 3.65 37
  138 63.76 638
  139 11.63 116
  140 1.07 11
  142 1.01 10
  155 1.03 10
//