MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009443
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009443
RECORD_TITLE: METHYLEUGENOL; 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$NAME: METHYLEUGENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: C=CCc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
CH$LINK: INCHIKEY
ZYEMGPIYFIJGTP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025607
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$SPLASH: splash10-004i-6900000000-6e7986f7be4dcc512bf5
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
40 14 140
41 1 10
42 3 30
43 1 10
44 3 30
50 9 90
51 21.5 215
52 7.5 75
53 8 80
54 1 10
55 7 70
57 4 40
62 6.5 65
63 15.5 155
64 6 60
65 23.5 235
66 6 60
67 3.5 35
68 2 20
74 4 40
75 4.5 45
76 4 40
77 25 250
78 12.5 125
79 22.5 225
80 3.5 35
89 8 80
90 6 60
91 50.5 505
92 12.5 125
93 3 30
94 2 20
95 4.5 45
101 1 10
102 4 40
103 39 390
104 9 90
105 19.5 195
106 6 60
107 27.5 275
108 4 40
109 1 10
115 12.5 125
116 4.5 45
117 7 70
118 3 30
119 6 60
120 8 80
121 4 40
122 2 20
123 1.5 15
131 8 80
132 4.5 45
133 4.5 45
134 1.5 15
135 18 180
136 2.5 25
145 1 10
146 4 40
147 32 320
148 5 50
149 3.5 35
150 1 10
151 15.5 155
152 2 20
161 2.5 25
162 3.5 35
163 33 330
164 5 50
165 2 20
166 3 30
177 4.5 45
178 99.99 999
179 12.5 125
//