ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006346
RECORD_TITLE: L-MENTHOL; 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$NAME: L-MENTHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O
CH$EXACT_MASS: 156.15142
CH$SMILES: CC(C1)CC(O)C(C1)C(C)C
CH$IUPAC: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
CH$LINK: INCHIKEY NOOLISFMXDJSKH-KXUCPTDWSA-N
CH$LINK: COMPTOX DTXSID1022180

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$SPLASH: splash10-00ea-9100000000-977cf0c036d597693beb
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  31 2.54 25
  39 7.5 75
  41 31.66 317
  42 5.65 57
  43 25.55 256
  45 1.05 11
  53 5.75 58
  54 3.94 39
  55 38.26 383
  56 19.23 192
  57 25.5 255
  58 2.46 25
  65 1.21 12
  67 24.71 247
  68 13.3 133
  69 30.45 305
  70 11.59 116
  71 99.99 999
  72 5.59 56
  73 1.44 14
  77 2.58 26
  79 2.9 29
  80 12.38 124
  81 83.29 833
  82 39.86 399
  83 14.66 147
  84 3.56 36
  85 8.97 90
  86 4.25 43
  93 2.6 26
  94 5.16 52
  95 68.51 685
  96 31.73 317
  97 5.55 56
  99 4.21 42
  105 1.45 15
  109 11.84 118
  110 5.93 59
  111 1.65 17
  112 0.18 2
  113 1.58 16
  123 30.22 302
  124 3.45 35
  137 1.24 12
  138 33.18 332
  139 4.25 43
  141 1.79 18
//