MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008375
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008375
RECORD_TITLE: GERANIOL; 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$NAME: GERANIOL
CH$NAME: 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-JXMROGBWSA-N
CH$LINK: COMPTOX
DTXSID8026727
AC$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-9000000000-2bce8c0905dd12aa5dac
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
18 1.09 11
27 10.13 101
28 1.33 13
29 10.82 108
31 3.41 34
39 16.64 166
40 3.27 33
41 69.45 695
42 4.22 42
43 5.7 57
51 2.68 27
52 1.15 12
53 10.05 101
54 1.33 13
55 7.82 78
56 1.47 15
57 4.12 41
59 2.49 25
65 1.92 19
66 1 10
67 9.88 99
68 19.67 197
69 99.99 999
70 8 80
71 6.66 67
77 2.36 24
79 2.52 25
80 4.01 40
81 4.16 42
83 3.7 37
84 6.5 65
85 1.53 15
91 1.71 17
92 1.59 16
93 8.67 87
94 1.3 13
95 1.37 14
96 2.25 23
97 1.29 13
107 1.29 13
111 5.04 50
121 3.55 36
123 9.19 92
136 2.89 29
139 1.3 13
154 2.34 23
//
system version 2.2.6-SNAPSHOT