MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009446
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009446
RECORD_TITLE: ACETYLEUGENOL; 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$NAME: ACETYLEUGENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14O3
CH$EXACT_MASS: 206.09429
CH$SMILES: C=CCc(c1)cc(OC)c(OC(C)=O)c1
CH$IUPAC: InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3
CH$LINK: INCHIKEY
SCCDQYPEOIRVGX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5052624
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$SPLASH: splash10-03di-4900000000-67c6396f6b356ed19199
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
40 1 10
41 1.5 15
43 3.5 35
50 3.5 35
51 11.5 115
52 2.5 25
53 1.5 15
55 25.5 255
59 1 10
63 6 60
64 1.5 15
65 10 100
66 1 10
67 1.5 15
70 1.5 15
76 1 10
77 30 300
78 4 40
79 5.5 55
81 1 10
82 3 30
91 23.5 235
92 2.5 25
93 5.5 55
94 1 10
102 1.5 15
103 24.5 245
104 10 100
105 5.5 55
107 3 30
110 2.5 25
119 1 10
120 1 10
121 11.5 115
122 3 30
131 21.5 215
132 4 40
133 14 140
134 2 20
137 7.5 75
147 1.5 15
148 1 10
149 39.9 399
150 3 30
163 3.5 35
164 99.99 999
165 11.5 115
166 1.5 15
//