MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006346
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
//