MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006675
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006675
RECORD_TITLE: 5-(2-ACETOXYETHYLAMINO)-3-METHOXY-2,6-DIMETHYL-(6R*)-((2R*)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 5-(2-ACETOXYETHYLAMINO)-3-METHOXY-2,6-DIMETHYL-(6R*)-((2R*)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE
CH$NAME: WASABIDIENONE-E ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H27NO6
CH$EXACT_MASS: 353.18384
CH$SMILES: CC(=O)OCCNC(=C1)C(C)(OC(=O)C([H])(C)CC)C(=O)C(C)=C(OC)1
CH$IUPAC: InChI=1S/C18H27NO6/c1-7-11(2)17(22)25-18(5)15(19-8-9-24-13(4)20)10-14(23-6)12(3)16(18)21/h10-11,19H,7-9H2,1-6H3/t11-,18-/m1/s1
CH$LINK: INCHIKEY
RYGUAVIWYDWURX-ADLMAVQZSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-7592000000-d317bc295fe21e2da3df
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
41 13 130
42 2 20
43 51.5 515
44 1.45 15
45 2 20
53 4 40
54 2 20
55 0.6 6
56 3 30
57 47 470
58 3 30
59 0.6 6
65 2 20
67 4 40
68 4 40
69 0.45 5
70 2 20
72 3 30
74 4.5 45
77 0.3 3
79 3 30
80 3 30
82 2 20
83 0.6 6
85 8 80
87 63 630
88 4 40
91 0.2 2
92 2 20
94 3 30
95 2 20
96 0.2 2
106 2 20
107 2 20
108 2 20
109 0.2 2
111 6 60
112 4.5 45
122 4.5 45
123 0.45 5
124 4 40
136 4.5 45
137 3 30
138 0.75 8
139 3 30
140 6 60
141 3 30
147 0.3 3
148 3 30
149 3 30
150 7.5 75
151 0.5 5
152 5 50
154 2 20
156 3 30
164 1.2 12
165 4.5 45
166 19 190
167 7 70
168 0.9 9
178 6 60
179 2 20
180 12 120
181 0.45 5
182 34 340
183 6 60
184 4.5 45
192 0.45 5
193 2 20
194 6.5 65
208 99.99 999
209 1.9 19
210 10 100
212 17.5 175
223 13 130
224 2.2 22
225 6 60
226 45.5 455
227 6 60
228 1.5 15
251 3 30
252 4.5 45
253 6 60
254 2.05 21
255 3 30
268 44 440
269 8 80
270 1.1 11
296 4.5 45
310 4.5 45
311 6 60
313 0.75 8
353 48.5 485
354 14.5 145
//
