MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003297
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003297
RECORD_TITLE: (Z)-9-OCTADECEN-1-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: (Z)-9-OCTADECEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O
CH$EXACT_MASS: 268.27662
CH$SMILES: CCCCCCCCC([H])=C([H])CCCCCCCCO
CH$IUPAC: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-
CH$LINK: INCHIKEY
ALSTYHKOOCGGFT-KTKRTIGZSA-N
CH$LINK: COMPTOX
DTXSID0022010
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-053s-9100000000-d8df7ab27573592064e6
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
45 3.9 39
51 1.4 14
53 13.7 137
54 99.99 999
55 55.2 552
56 72.8 728
57 2.9 29
58 1.4 14
65 3.3 33
66 8.7 87
67 89.4 894
70 26.8 268
71 19.7 197
72 1.4 14
77 4.4 44
78 1.4 14
79 11.1 111
80 8.2 82
81 82.2 822
82 92.6 926
83 78 780
84 14.8 148
85 10.6 106
91 2.3 23
93 3.9 39
94 3.6 36
95 65.5 655
96 78.4 784
97 49.2 492
98 7.7 77
99 2.5 25
107 1.7 17
108 1.5 15
109 25.5 255
110 25.1 251
111 16.5 165
112 5.1 51
113 1.5 15
121 1.8 18
123 12 120
124 13.8 138
125 7.2 72
126 2.2 22
135 1.5 15
137 6.6 66
138 7.9 79
139 3.1 31
140 1.8 18
151 2.4 24
152 4.1 41
153 1.5 15
166 2.8 28
168 1.7 17
180 1.4 14
194 2.2 22
208 1.4 14
//