MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007633
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007633
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-015c-9200000000-eea073073c86ea4d9a38
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
41 11.1 111
43 2.3 23
55 2.5 25
56 0.23 2
57 2.4 24
59 5.1 51
67 4.8 48
68 2.28 23
69 99.99 999
70 7.9 79
71 7.5 75
72 0.35 4
79 2.6 26
80 26.7 267
81 8.4 84
82 0.21 2
83 7.1 71
84 33.1 331
85 4.3 43
91 0.11 1
92 11.9 119
93 47.8 478
94 9.4 94
107 0.49 5
108 1.9 19
109 3.1 31
110 4.1 41
111 1.56 16
112 4.3 43
121 19.5 195
136 13.5 135
137 0.19 2
139 9.3 93
154 8.4 84
//
system version 2.2.6-SNAPSHOT