MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007243
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007243
RECORD_TITLE: 5-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)DECAN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 6-Gingerol
CH$NAME: (5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H26O4
CH$EXACT_MASS: 294.18311
CH$SMILES: CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
CH$IUPAC: InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
CH$LINK: CAS
23513-14-6
CH$LINK: COMPTOX
DTXSID3041035
CH$LINK: INCHIKEY
NLDDIKRKFXEWBK-AWEZNQCLSA-N
CH$LINK: NIKKAJI
J46.683B
CH$LINK: PUBCHEM
CID:442793
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-3910000000-3c07be71d662410144ab
PK$NUM_PEAK: 96
PK$PEAK: m/z int. rel.int.
39 3.2 32
40 1.1 11
41 11.7 117
43 1.38 14
44 9.6 96
45 2.1 21
51 1.1 11
52 0.11 1
53 3.2 32
55 8.5 85
56 8.5 85
57 0.74 7
65 1.1 11
66 2.1 21
67 3.2 32
69 0.21 2
70 1.1 11
71 4.3 43
72 2.1 21
76 0.11 1
77 2.1 21
79 3.2 32
80 2.1 21
81 0.11 1
82 3.2 32
83 3.2 32
84 1.1 11
85 0.11 1
89 1.1 11
91 8.5 85
92 3.2 32
94 0.21 2
95 1.1 11
97 1.1 11
99 1.1 11
101 0.11 1
102 1.1 11
103 1.1 11
104 1.1 11
105 0.21 2
106 2.1 21
107 5.3 53
108 3.2 32
109 0.43 4
111 1.1 11
115 1.1 11
117 1.1 11
118 0.11 1
119 8.5 85
121 1.1 11
122 9.6 96
123 0.21 2
124 6.4 64
125 1.1 11
126 1.1 11
133 0.11 1
135 5.3 53
136 6.4 64
137 99.99 999
138 1.38 14
139 3.2 32
140 2.1 21
143 2.1 21
145 0.21 2
147 1.1 11
148 1.1 11
149 1.1 11
150 3.72 37
151 14.8 148
152 3.2 32
159 1.1 11
160 0.11 1
161 2.1 21
163 4.3 43
175 2.1 21
176 0.11 1
177 4.3 43
178 3.2 32
179 5.3 53
180 0.11 1
190 1.1 11
191 2.1 21
192 3.2 32
193 0.11 1
194 13.8 138
195 4.3 43
205 6.4 64
206 0.21 2
207 1.1 11
211 1.1 11
234 2.1 21
276 0.64 6
277 3.2 32
293 1.1 11
294 19.1 191
295 5.3 53
//