MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008377
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008377
RECORD_TITLE: NEROL; 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$NAME: NEROL
CH$NAME: (Z)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: OCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
CH$LINK: INCHIKEY
GLZPCOQZEFWAFX-YFHOEESVSA-N
CH$LINK: COMPTOX
DTXSID3026728
AC$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: splash10-014l-9000000000-41e0055b618413366b81
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
18 1.12 11
27 13.72 137
28 2.09 21
29 13.12 131
31 4.14 41
39 21.58 216
40 4.25 43
41 82.45 825
42 5.35 54
43 7.97 80
51 3.36 34
52 1.54 15
53 13.17 132
54 1.6 16
55 9.44 94
56 2.98 30
57 3.23 32
59 1.2 12
65 2.08 21
67 11.75 118
68 19.53 195
69 99.99 999
70 7.58 76
71 7.22 72
77 3.42 34
79 4.08 41
80 8.36 84
81 4.74 47
82 1.26 13
83 7.67 77
84 13.43 134
85 1.83 18
91 3.2 32
92 3.33 33
93 19.27 193
94 2.53 25
95 1.83 18
96 1.31 13
97 4.73 47
98 1.29 13
107 1.9 19
111 4.56 46
121 6.71 67
123 5.21 52
136 2.79 28
139 1.77 18
154 2.95 30
//