MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006929
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006929
RECORD_TITLE: BETA-TERPINEOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: BETA-TERPINEOL
CH$NAME: 1-METHYL-4-(1-METHYLETHENYL)CYCLOHEXAN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(=C)C(C1)CCC(C)(O)C1
CH$IUPAC: InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3
CH$LINK: INCHIKEY
RUJPNZNXGCHGID-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7041209
AC$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: splash10-006x-9100000000-1e530cbd646d0e92b81e
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
15 2.77 28
27 18.43 184
28 5.86 59
29 14.12 141
31 2.98 30
38 1.08 11
39 27.61 276
40 6.89 69
41 40.81 408
42 5.44 54
43 86.85 869
44 1.97 20
45 3.9 39
50 1.05 11
51 4.57 46
52 2.31 23
53 19.06 191
54 3.2 32
55 27.25 273
56 6.75 68
57 6.02 60
58 28.83 288
59 2.61 26
62 1.27 13
63 1.56 16
65 4.94 49
66 2.86 29
67 24.39 244
68 34.92 349
69 42.72 427
70 3.82 38
71 99.99 999
72 5.2 52
77 7.36 74
78 1.7 17
79 21.7 217
80 9.4 94
81 20.79 208
82 4.61 46
83 14.05 141
84 22.2 222
85 1.7 17
91 6.12 61
92 16.98 170
93 55.68 557
94 27.41 274
95 13.41 134
96 2.97 30
97 6.22 62
105 1.96 20
107 30.96 310
108 20.26 203
109 2.18 22
111 12.52 125
112 1.02 10
121 33.4 334
122 2.7 27
123 1.15 12
125 1.01 10
126 1.2 12
136 45.88 459
137 5.64 56
139 6.35 64
//
system version 2.2.8-SNAPSHOT