MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009445
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009445
RECORD_TITLE: ISOEUGENOL; 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$NAME: ISOEUGENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CC=Cc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
CH$LINK: INCHIKEY
BJIOGJUNALELMI-ONEGZZNKSA-N
CH$LINK: COMPTOX
DTXSID50872350
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$SPLASH: splash10-03di-4900000000-f0dd30e91dc041336262
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
40 2 20
41 3.5 35
42 1 10
43 2.5 25
50 3 30
51 7.5 75
52 3.5 35
53 6.5 65
54 1.5 15
55 27.5 275
61 1.5 15
62 2.5 25
63 5.5 55
64 2.5 25
65 8.5 85
66 3.5 35
67 2.5 25
68 1 10
69 3 30
74 1.5 15
75 2.5 25
76 1.5 15
77 25.5 255
78 8 80
79 6.5 65
80 1.5 15
81 3.5 35
82 2.5 25
89 3.5 35
90 2.5 25
91 19 190
92 4 40
93 8 80
94 3.5 35
95 1.5 15
102 2.5 25
103 26.5 265
104 14.5 145
105 7.5 75
106 2.5 25
107 6 60
108 1.5 15
109 1.5 15
115 3.5 35
116 1.5 15
117 2 20
118 2 20
119 3.5 35
120 2.5 25
121 20.5 205
122 3.5 35
123 1.5 15
124 2 20
125 1.5 15
130 2 20
131 17.5 175
132 7 70
133 16.5 165
134 3 30
135 3.5 35
136 1.5 15
137 7.5 75
147 5.5 55
148 2.5 25
149 36.5 365
150 5 50
151 2 20
161 1.5 15
162 2 20
163 5.5 55
164 99.99 999
165 13 130
166 2 20
//