MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007575
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007575
RECORD_TITLE: EUGENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: EUGENOL
CH$NAME: 2-METHOXY-4-(2-PROPENYL)PHENOL
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: CAS
97-53-0
CH$LINK: INCHIKEY
RRAFCDWBNXTKKO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9020617
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-03di-2900000000-395df8510f0db4933abe
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
39 5.72 57
41 3.01 30
51 6.02 60
55 10.52 105
63 2.51 25
65 4.71 47
77 14.62 146
78 4.01 40
91 10.62 106
103 15.22 152
104 9.72 97
105 5.21 52
121 10.32 103
131 19.23 192
133 13.62 136
137 17.53 175
147 4.71 47
149 31.14 311
164 99.99 999
165 11.12 111
//