MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000747
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000747
RECORD_TITLE: METHYL EUGENOL; 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$NAME: METHYL EUGENOL
CH$NAME: 1-ALLYL-3,4-DIMETHOXYBENZENE
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-6900000000-24e258249ebb81a10db8
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
39 20 200
40 2 20
41 14 140
42 0.1 1
43 3 30
44 1 10
45 2 20
50 0.9 9
51 21 210
52 7 70
53 8 80
54 0.1 1
55 7 70
57 4 40
62 6 60
63 1.5 15
64 6 60
65 22 220
66 6 60
67 0.2 2
68 1 10
74 4 40
75 5 50
76 0.4 4
77 26 260
78 12 120
79 22 220
80 0.3 3
89 8 80
90 6 60
91 50 500
92 1.2 12
93 3 30
94 1.5 15
95 4 40
101 0.1 1
102 4 40
103 39 390
104 9 90
105 1.9 19
106 6 60
107 28 280
108 4 40
109 0.1 1
115 12 120
116 4 40
117 7 70
118 0.3 3
119 6 60
120 8 80
121 4 40
122 0.3 3
123 1 10
131 8 80
132 4 40
133 0.4 4
134 1 10
135 18 180
136 2 20
145 0.1 1
146 4 40
147 32 320
148 5 50
149 0.3 3
150 1 10
151 15 150
152 2 20
161 0.2 2
162 3 30
163 33 330
164 5 50
165 0.2 2
166 3 30
177 4 40
178 99.99 999
179 13 130
//