MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008389
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008389
RECORD_TITLE: TRANS-LINALOOL OXIDE; 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$NAME: TRANS-LINALOOL OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: C=CC(C)(C1)OC(C1)C(C)(C)O
CH$IUPAC: InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
CH$LINK: INCHIKEY
BRHDDEIRQPDPMG-WCBMZHEXSA-N
AC$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: splash10-052f-9000000000-e8c8defcb13d413ce23b
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
15 2.52 25
27 11.47 115
29 5.58 56
31 10.88 109
39 10.87 109
40 1.33 13
41 25.12 251
42 2.88 29
43 48.74 487
44 2.03 20
45 2.94 29
51 1.18 12
53 6.14 61
54 1.73 17
55 28.21 282
56 2.14 21
57 4.4 44
58 1.38 14
59 99.99 999
60 2.87 29
65 1.62 16
66 1.17 12
67 22.29 223
68 31.3 313
69 11.51 115
70 5.27 53
71 11.62 116
72 5.24 52
73 1.29 13
77 2.91 29
79 6.33 63
81 17.28 173
82 3.62 36
83 12.5 125
84 4.21 42
85 5.47 55
91 2.34 23
93 29.53 295
94 41.15 412
95 4.89 49
97 6.65 67
102 1.65 17
109 2.08 21
110 1.53 15
111 31.22 312
112 4.89 49
137 3.31 33
155 3.77 38
//