MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009444
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009444
RECORD_TITLE: TRIDEUTEROMETHYLEUGENOL(D3); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TRIDEUTEROMETHYLEUGENOL(D3)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: C=CCc(c1)cc(OC)c(OC([2H])([2H])[2H])c1
CH$IUPAC: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3/i2D3
CH$LINK: INCHIKEY
ZYEMGPIYFIJGTP-BMSJAHLVSA-N
AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001l-6900000000-0b489e050538331d3090
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
40 4.5 45
41 24 240
42 4 40
43 16 160
44 2.5 25
45 4 40
46 1.5 15
47 3 30
50 9 90
51 25 250
52 8.5 85
53 8.5 85
54 1.5 15
55 11.5 115
56 1.5 15
57 3 30
58 1 10
59 2 20
60 3.5 35
61 1.5 15
62 7 70
63 15.5 155
64 7.5 75
65 27.5 275
66 8 80
67 3 30
68 1.5 15
69 2.5 25
74 4.5 45
75 3.5 35
76 4.5 45
77 26.5 265
78 16.5 165
79 25.5 255
80 7 70
81 3.5 35
82 2.5 25
83 1.5 15
86 1.5 15
87 1.5 15
88 1 10
89 9.5 95
90 8 80
91 57.5 575
92 17.5 175
93 6.5 65
94 4 40
95 4 40
96 1.5 15
97 1 10
101 1.5 15
102 4 40
103 53.5 535
104 14 140
105 21.5 215
106 10.5 105
107 29 290
108 7 70
109 6.5 65
110 5 50
111 2.5 25
114 1 10
115 12.5 125
116 8.5 85
117 8.5 85
118 6.5 65
119 9.5 95
120 11.5 115
121 3 30
122 1.5 15
123 1.5 15
124 1.5 15
131 12.5 125
132 5.5 55
133 4.5 45
134 2.5 25
135 1.5 15
136 4 40
137 4.5 45
138 8.5 85
139 2 20
145 1 10
146 3.5 35
147 23.5 235
148 7.5 75
149 12 120
150 17.5 175
151 3.5 35
152 3 30
153 7 70
154 13.5 135
155 1.5 15
161 1.5 15
162 1.5 15
163 3.5 35
164 7.5 75
165 7.5 75
166 12 120
167 2.5 25
168 1 10
178 3.5 35
179 12.5 125
180 57.5 575
181 99.99 999
182 12.5 125
//
system version 2.2.8-SNAPSHOT