MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009332
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009332
RECORD_TITLE: EUGENOL; 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$NAME: EUGENOL
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-03di-4900000000-1d96ae8b031e47e13112
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
26 1 10
27 7.1 71
28 2.6 26
29 0.15 2
31 0.9 9
38 2.2 22
39 15.2 152
40 0.28 3
41 7.5 75
43 4.2 42
45 1 10
50 0.46 5
51 12.9 129
52 5.4 54
53 4.8 48
55 2.19 22
56 1.1 11
62 2 20
63 5.1 51
64 0.18 2
65 9.8 98
66 4 40
67 1.3 13
69 0.1 1
74 1.3 13
75 1.2 12
76 1.3 13
77 2.58 26
78 6.9 69
79 6.2 62
81 2.2 22
89 0.18 2
91 17 170
92 2.4 24
93 4.6 46
94 0.57 6
95 1.1 11
102 1.7 17
103 20.6 206
104 1.45 15
105 6.3 63
106 1.1 11
107 3.2 32
109 0.13 1
115 2.2 22
119 1.9 19
120 1.1 11
121 1.51 15
122 6.3 63
131 20.6 206
132 9.7 97
133 1.63 16
134 1.8 18
135 1.8 18
137 19.3 193
138 0.16 2
147 4.8 48
149 34.6 346
150 3.3 33
163 0.44 4
164 99.99 999
165 11.1 111
166 1.1 11
//