MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009442
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009442
RECORD_TITLE: EUGENOL; 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$NAME: EUGENOL
CH$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$SPLASH: splash10-0ik9-6900000000-def0c646d72c040b58da
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
40 2 20
41 8 80
42 2 20
43 4 40
44 1.5 15
50 8 80
51 16 160
52 9 90
53 11 110
54 2.5 25
55 25.5 255
56 2 20
57 2 20
61 2 20
62 5 50
63 8 80
64 4 40
65 15 150
66 9 90
67 2.5 25
68 2 20
69 2 20
74 3 30
75 5 50
76 2.5 25
77 38 380
78 12 120
79 12.5 125
80 2 20
81 3.5 35
89 4.5 45
90 3 30
91 21 210
92 5 50
93 9.5 95
94 12.5 125
95 3 30
101 2 20
102 4.5 45
103 31.5 315
104 21 210
105 13.5 135
106 3 30
107 5 50
108 2 20
109 2 20
115 4 40
116 2 20
117 2 20
118 2.5 25
119 5 50
120 3 30
121 23 230
122 10.5 105
123 2 20
124 1 10
130 2 20
131 27 270
132 10 100
133 20 200
134 2 20
135 3 30
136 2 20
137 23.5 235
138 3 30
147 6 60
148 2.1 21
149 37 370
150 5 50
163 5 50
164 99.99 999
165 12 120
166 2 20
//