MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009451
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009451
RECORD_TITLE: METHYLISOEUGENOL; 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$NAME: METHYLISOEUGENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CC=Cc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
CH$LINK: INCHIKEY
NNWHUJCUHAELCL-SNAWJCMRSA-N
AC$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: splash10-004i-5900000000-79e4262361360bb052d7
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
40 3 30
41 9 90
42 1 10
43 2 20
50 7 70
51 14.5 145
52 3.5 35
53 7 70
54 1 10
55 5 50
57 7 70
62 6 60
63 12.5 125
64 4 40
65 14 140
66 4 40
67 2 20
68 1 10
69 2 20
74 4 40
75 2 20
76 5.5 55
77 15.5 155
78 7.5 75
79 16.5 165
80 2 20
89 8 80
90 4 40
91 39.5 395
92 8.5 85
93 2 20
94 2 20
95 5.5 55
102 5.5 55
103 28 280
104 7 70
105 13 130
106 2 20
107 39 390
108 4 40
109 1.5 15
115 13 130
116 3 30
117 6.5 65
118 2.5 25
119 7 70
120 6 60
121 2 20
131 6.5 65
132 2 20
133 4 40
134 1 10
135 17 170
136 2 20
145 2 20
146 3 30
147 11 110
148 2 20
149 2 20
150 1 10
151 4 40
161 1 10
162 3 30
163 43.5 435
164 6 60
165 2.5 25
166 2.5 25
177 3 30
178 99.99 999
179 12.5 125
180 2 20
//