MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005515
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005515
RECORD_TITLE: (Z)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (Z)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL
CH$NAME: NEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: OCC([H])=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: CAS
106-25-2
CH$LINK: INCHIKEY
GLZPCOQZEFWAFX-YFHOEESVSA-N
CH$LINK: COMPTOX
DTXSID3026728
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014l-9100000000-a5bdece739d0cb5bf629
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
29 2.4 24
41 40.4 404
42 2 20
43 0.36 4
53 1.2 12
55 5 50
56 2.6 26
57 0.25 3
59 2.8 28
67 8.3 83
68 19.8 198
69 99.99 999
70 7.3 73
71 7.2 72
72 1.7 17
77 0.22 2
79 3.4 34
80 13.1 131
81 6.6 66
82 0.14 1
83 6.6 66
84 18.1 181
85 2.6 26
91 0.19 2
92 5.7 57
93 28.3 283
94 5 50
95 0.31 3
107 3 30
109 1.8 18
110 1.7 17
111 0.7 7
112 1.7 17
121 11 110
122 1 10
123 0.7 7
136 5.9 59
139 4 40
154 3.9 39
//
system version 2.2.6-SNAPSHOT