MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009740
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009740
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-0900000000-dfa64951eb648f5c9df1
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
41 1.7 17
43 1 10
55 8.3 83
77 0.69 7
78 1.8 18
79 2.2 22
91 4.1 41
93 0.24 2
94 1.2 12
103 9.3 93
104 9.7 97
105 0.3 3
107 1.6 16
121 9.2 92
122 2.7 27
131 1.38 14
132 6.7 67
133 11.6 116
134 1.4 14
135 0.12 1
137 10 100
147 3.4 34
149 24.1 241
150 0.25 3
163 3.1 31
164 99.99 999
165 11.4 114
166 1.1 11
//