MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005381
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005381
RECORD_TITLE: (Z)-3-DODECEN-1-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: (Z)-3-DODECEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O
CH$EXACT_MASS: 184.18272
CH$SMILES: CCCCCCCCC([H])=C([H])CCO
CH$IUPAC: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10,13H,2-8,11-12H2,1H3/b10-9-
CH$LINK: INCHIKEY
BDGQTWOHKASHQU-KTKRTIGZSA-N
CH$LINK: COMPTOX
DTXSID40885535
AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-014i-9100000000-581f473c3765e3538873
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
43 6.5 65
44 22.7 227
45 7.1 71
46 0.37 4
54 22.1 221
55 35 350
56 20.3 203
57 3.15 32
58 2.7 27
66 6.9 69
67 49.4 494
68 99.99 999
69 36.6 366
70 17.6 176
71 14.7 147
72 0.2 2
79 2.2 22
80 2.1 21
81 49.8 498
82 6.58 66
83 25.5 255
84 8.1 81
85 5.7 57
86 0.13 1
89 1.1 11
95 30.1 301
96 36.8 368
97 1.54 15
98 4.9 49
99 1.9 19
109 18.6 186
110 2.07 21
111 6.1 61
112 2.5 25
122 1.7 17
123 1.07 11
124 11 110
125 1.8 18
137 5.6 56
138 1.21 12
139 1.4 14
140 1.7 17
165 1.3 13
166 0.97 10
167 1.4 14
184 0.4 4
//
system version 2.2.6-SNAPSHOT