MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009069
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009069
RECORD_TITLE: PERILLYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: PERILLYL ALCOHOL
CH$NAME: (4-ISOPROPENYL-1-CYCLOHXENE)METHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: OCC(C1)=C([H])CC(C(C)=C)C1
CH$IUPAC: InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
CH$LINK: CAS
536-59-4
CH$LINK: INCHIKEY
NDTYTMIUWGWIMO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4052180
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$SPLASH: splash10-00mo-9200000000-6d3cda5b991dc6f0a098
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
15 1.82 18
26 1.78 18
27 30.87 309
28 9.44 94
29 19.75 198
30 1.02 10
31 18.95 190
38 2.6 26
39 53.98 540
40 14.66 147
41 65.63 656
42 8.73 87
43 13.41 134
44 1.9 19
50 4.27 43
51 14.83 148
52 6.63 66
53 42.62 426
54 6.48 65
55 48.87 489
56 15.04 150
57 6.55 66
62 1.38 14
63 4.39 44
64 1.35 14
65 15.1 151
66 9.58 96
67 63.5 635
68 99.99 999
69 19.87 199
70 8.03 80
71 3.07 31
77 34.29 343
78 9.32 93
79 91.48 915
80 16.39 164
81 26.46 265
82 5.15 52
83 20.36 204
84 5.33 53
85 1.49 15
89 1.06 11
91 46.14 461
92 17.55 176
93 65.99 660
94 13.14 131
95 10.84 108
96 3.65 37
97 1.67 17
103 2.27 23
104 1.52 15
105 18.82 188
106 20.61 206
107 7.2 72
108 18.99 190
109 21.58 216
110 4.98 50
111 1.46 15
115 1.61 16
117 2.23 22
119 28.32 283
120 2.88 29
121 54.2 542
122 5.36 54
123 3.71 37
124 2.87 29
133 1.34 13
134 9.03 90
135 1.56 16
137 1.76 18
152 15.39 154
153 1.59 16
//
system version 2.2.8-SNAPSHOT