MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001158
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001158
RECORD_TITLE: L-MENTHYL 3-ETHYL-4-HYDROXYTRICYCLO(4.3.0.O(1,5))NONANE-5-CARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: L-MENTHYL 3-ETHYL-4-HYDROXYTRICYCLO(4.3.0.O(1,5))NONANE-5-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H36O3
CH$EXACT_MASS: 348.26645
CH$SMILES: CC(C4)CC(C(C4)C(C)C)OC(=O)C(C(O)2)(C31)C(CCC3)(CC(CC)2)1
CH$IUPAC: InChI=1S/C22H36O3/c1-5-15-12-21-10-6-7-18(21)22(21,19(15)23)20(24)25-17-11-14(4)8-9-16(17)13(2)3/h13-19,23H,5-12H2,1-4H3/t14-,15-,16?,17-,18+,19+,21+,22?/m1/s1
CH$LINK: INCHIKEY
QWNGCUFGYYKGMH-FHYZNXDSSA-N
AC$INSTRUMENT: HITACHI RMU-6L
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: splash10-0536-9700000000-4da25b25af4072f28966
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
40 2 20
41 55 550
42 3 30
43 45 450
44 2 20
51 2 20
53 11 110
54 6 60
55 74 740
56 7 70
57 37 370
58 2 20
65 4 40
66 3 30
67 22 220
68 5 50
69 45 450
70 3 30
71 7 70
77 12 120
78 3 30
79 19 190
80 4 40
81 36 360
82 7 70
83 99.99 999
84 7 70
91 20 200
92 3 30
93 13 130
94 4 40
95 25 250
96 6 60
97 17 170
105 9 90
107 7 70
108 6 60
109 3 30
117 5 50
119 16 160
120 3 30
121 4 40
123 8 80
126 3 30
131 2 20
133 2 20
135 6 60
136 38 380
137 11 110
138 18 180
139 13 130
140 2 20
145 2 20
147 34 340
148 5 50
149 2 20
150 2 20
151 2 20
154 40 400
155 3 30
162 2 20
163 30 300
164 16 160
165 38 380
166 4 40
174 3 30
175 8 80
176 3 30
191 12 120
192 98 980
193 36 360
194 4 40
210 3 30
211 37 370
212 5 50
213 1 10
292 0.3 3
330 0.3 3
347 0.1 1
348 0.2 2
349 0.1 1
//