MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006611
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006611
RECORD_TITLE: CARVONE-1,6-OXIDE; 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$NAME: CARVONE-1,6-OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: CC(=C)C([H])(C2)CC(O1)C(C)(C(=O)2)1
CH$IUPAC: InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9?,10?/m1/s1
CH$LINK: INCHIKEY
YGMNGQDLUQECTO-CUUXFQNZSA-N
AC$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: splash10-000f-9100000000-0098c09f66dbfa00234b
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
15 4.38 44
26 1.83 18
27 23.38 234
29 5.7 57
38 1.48 15
39 29.99 300
40 4.99 50
41 28.77 288
42 4.29 43
43 99.99 999
44 2.16 22
45 1.42 14
50 1.7 17
51 4.28 43
52 2.57 26
53 20.44 204
54 3.23 32
55 22.37 224
56 1.91 19
57 1.19 12
63 1.27 13
65 3.66 37
66 2.57 26
67 38.77 388
68 21.45 215
69 5.2 52
70 3.57 36
71 12.67 127
77 4.23 42
78 1.16 12
79 12.76 128
80 3.45 35
81 18.49 185
82 11.41 114
83 2.3 23
85 45.55 456
86 1.69 17
91 3.02 30
93 3.37 34
94 3.52 35
95 28.01 280
96 9.73 97
97 6.68 67
105 3.46 35
107 2.36 24
108 1.94 19
109 15.71 157
110 3.03 30
120 3.87 39
121 7.52 75
122 1.92 19
123 29.55 296
124 3 30
137 4.55 46
138 5.86 59
151 1.51 15
//