MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006925
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006925
RECORD_TITLE: ISOBORNEOL; 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$NAME: ISOBORNEOL
CH$NAME: EXO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: OC(C1)C(C)(C2)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
CH$LINK: INCHIKEY
DTGKSKDOIYIVQL-OYNCUSHFSA-N
CH$LINK: COMPTOX
DTXSID40168259
AC$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: splash10-0005-9100000000-d50d0d9d1dd88bfb8d8c
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
27 10.18 102
28 1.27 13
29 8.74 87
31 1.55 16
39 12.52 125
40 1.98 20
41 27.77 278
42 2.25 23
43 15.64 156
44 1.72 17
45 1.02 10
51 2 20
53 8.28 83
54 1.63 16
55 16.38 164
56 1.73 17
57 3.6 36
59 5.43 54
65 2.23 22
67 13.09 131
68 2.71 27
69 9.67 97
70 2.71 27
71 8.08 81
72 5.07 51
77 4.64 46
79 5.75 58
80 1.6 16
81 6.49 65
82 9.91 99
83 6.14 61
84 4.79 48
85 1.16 12
91 3.06 31
92 7.2 72
93 16.46 165
94 2.27 23
95 99.99 999
96 8.83 88
97 1.7 17
105 1.1 11
107 2.08 21
108 2.83 28
109 2.04 20
110 18.03 180
111 6.06 61
121 12.25 123
136 12.23 122
137 1.25 13
139 8.46 85
//