MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000748
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000748
RECORD_TITLE: TRIDEUTEROMETHYL EUGENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: TRIDEUTEROMETHYL EUGENOL
CH$NAME: 1-ALLYL-3-METHOXY-4-(2H(3))METHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: C=CCc(c1)cc(OC)c(OC([2H])([2H])[2H])c1
CH$IUPAC: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3/i2D3
CH$LINK: INCHIKEY
ZYEMGPIYFIJGTP-BMSJAHLVSA-N
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$SPLASH: splash10-001i-6900000000-7eab85ab8f89486d0c67
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
50 15 150
51 27 270
52 9 90
55 1.4 14
56 3 30
57 6 60
63 14 140
64 0.5 5
65 21 210
66 10 100
75 20 200
76 1.1 11
77 41 410
78 17 170
79 24 240
89 0.1 1
90 8 80
91 52 520
92 18 180
93 0.6 6
95 6 60
103 48 480
104 10 100
105 0.5 5
106 10 100
107 35 350
108 2 20
109 0.2 2
115 10 100
116 12 120
117 8 80
118 0.1 1
119 7 70
120 13 130
121 1.5 15
129 0.15 2
131 22 220
132 6 60
134 1 10
135 1.4 14
136 1 10
138 1.5 15
146 5 50
147 3.1 31
148 1 10
149 7 70
152 1 10
153 0.5 5
163 45 450
164 3 30
166 7 70
179 0.6 6
180 53 530
181 99.99 999
182 1 10
//