MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000746
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000746
RECORD_TITLE: 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$NAME: EUGENOL
CH$NAME: 4-ALLYL-2-METHOXYPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: C=CCc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
CH$LINK: INCHIKEY
RRAFCDWBNXTKKO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9020617
AC$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: splash10-0ik9-5900000000-3d3a9e4f250074741003
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
39 17 170
40 2 20
41 8 80
42 0.2 2
43 4 40
44 1 10
50 8 80
51 1.6 16
52 9 90
53 11 110
54 2 20
55 2.5 25
56 2 20
57 2 20
61 2 20
62 0.5 5
63 8 80
64 4 40
65 15 150
66 0.9 9
67 2 20
68 2 20
69 2 20
74 0.3 3
75 5 50
76 3 30
77 38 380
78 1.2 12
79 12 120
80 2 20
81 4 40
89 0.4 4
90 3 30
91 21 210
92 5 50
93 1 10
94 12 120
95 3 30
101 2 20
102 0.4 4
103 31 310
104 21 210
105 13 130
106 0.3 3
107 5 50
108 2 20
109 2 20
115 0.4 4
116 2 20
117 2 20
118 2 20
119 0.5 5
120 3 30
121 23 230
122 11 110
123 0.2 2
124 1 10
130 2 20
131 27 270
132 1 10
133 20 200
134 3 30
135 3 30
136 0.2 2
137 23 230
138 3 30
147 6 60
148 0.2 2
149 37 370
150 5 50
163 5 50
164 99.99 999
165 12 120
166 2 20
//