MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008376
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008376
RECORD_TITLE: LINALOOL; 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$NAME: LINALOOL
CH$NAME: 3,7-DIMETHYL-1,6-OCTADIEN-3-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C)=CCCC(C)(O)C=C
CH$IUPAC: InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
CH$LINK: COMPTOX
DTXSID7025502
CH$LINK: INCHIKEY
CDOSHBSSFJOMGT-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:6549
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$SPLASH: splash10-006x-9000000000-fe642a5570c732aea8de
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
15 2 20
18 1.15 12
26 1.04 10
27 21.16 212
28 3.01 30
29 10.19 102
31 2.24 22
39 22.09 221
40 4.97 50
41 63.43 634
42 5.86 59
43 58.84 588
44 1.63 16
45 1.58 16
51 3.62 36
52 1.45 15
53 13.41 134
54 2.5 25
55 46.66 467
56 9.02 90
57 3.48 35
58 2.51 25
59 3.42 34
65 3.06 31
66 1.17 12
67 15.88 159
68 12.86 129
69 40.64 406
70 5 50
71 99.99 999
72 7.53 75
77 4.19 42
79 8.08 81
80 26.17 262
81 10.85 109
82 5.73 57
83 16.15 162
84 4.3 43
85 1.36 14
86 1.62 16
91 4.76 48
92 11.35 114
93 61.4 614
94 8.79 88
95 2.72 27
96 7.47 75
97 1.96 20
105 3.07 31
107 5.78 58
108 1.34 13
109 5.02 50
111 2.96 30
121 19.93 199
122 1.59 16
136 8.77 88
137 1.04 10
139 2.18 22
//
system version 2.2.6-SNAPSHOT