MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009331
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009331
RECORD_TITLE: ISOEUGENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S 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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-5900000000-d5e9036e83fd9c1033b0
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
27 5.7 57
28 2.3 23
29 1.3 13
38 0.2 2
39 10.8 108
40 1.6 16
41 4.2 42
43 0.37 4
50 3.4 34
51 9.6 96
52 3.7 37
53 0.37 4
55 21 210
62 2.1 21
63 5.2 52
64 0.17 2
65 7.8 78
66 2.2 22
74 1.4 14
75 0.16 2
76 1.3 13
77 22.1 221
78 5.4 54
79 0.51 5
81 2 20
82 2.7 27
89 2.3 23
91 1.53 15
92 2.3 23
93 4.4 44
94 1.7 17
102 0.16 2
103 17.6 176
104 9.6 96
105 4.3 43
106 0.1 1
107 3.2 32
109 1.3 13
115 1.6 16
118 0.1 1
119 1.7 17
120 1.2 12
121 12.9 129
122 0.2 2
131 16.7 167
132 5.4 54
133 12 120
134 0.15 2
135 1.1 11
137 5.3 53
147 3.3 33
149 3.44 34
150 3.3 33
163 4 40
164 99.99 999
165 11 110
//