MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008379
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008379
RECORD_TITLE: CITRONELLOL; 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$NAME: CITRONELLOL
CH$NAME: 3,7-DIMETHYL-6-OCTEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O
CH$EXACT_MASS: 156.15142
CH$SMILES: OCCC(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
CH$LINK: INCHIKEY
QMVPMAAFGQKVCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3026726
AC$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: splash10-015c-9000000000-9db6e91c321664a95314
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
15 1.13 11
27 18.18 182
28 2.64 26
29 15.36 154
31 28.35 284
39 24.3 243
40 4.33 43
41 99.99 999
42 10.51 105
43 19.97 200
44 2.26 23
45 3.51 35
51 2.47 25
52 1.5 15
53 14.96 150
54 3.92 39
55 50.96 510
56 27.57 276
57 10.98 110
65 2.17 22
66 1.45 15
67 41.5 415
68 25.08 251
69 90.71 907
70 15.19 152
71 24.93 249
72 1.39 14
77 1.99 20
79 2.53 25
80 2.37 24
81 39.24 392
82 47.15 472
83 12.45 125
84 1.94 19
85 1.83 18
86 1.99 20
91 1 10
94 1.33 13
95 33.76 338
96 8.39 84
109 13.48 135
110 4.46 45
111 1.09 11
123 19.11 191
124 1.82 18
138 6.65 67
156 7.72 77
//