MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008425
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008425
RECORD_TITLE: (E)-1,2-DIMETHOXY-4-(1-PROPENYL)BENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: (E)-1,2-DIMETHOXY-4-(1-PROPENYL)BENZENE
CH$NAME: TRANS-METHYL ISOEUGENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: COc(c1)c(OC)cc(c1)C([H])=C([H])C
CH$IUPAC: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
CH$LINK: INCHIKEY
NNWHUJCUHAELCL-SNAWJCMRSA-N
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-004i-4900000000-648a0e2f6d12e20248ec
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
15 4.93 49
18 1.2 12
27 2.78 28
38 1.28 13
39 5.87 59
41 6.36 64
43 1.63 16
50 3.1 31
51 5.8 58
52 2.04 20
53 2.94 29
55 3.92 39
57 1.93 19
62 1.39 14
63 4.5 45
64 1.64 16
65 7.11 71
66 2.15 22
67 1.06 11
75 1.18 12
76 1.23 12
77 9.35 94
78 3.41 34
79 8.34 83
89 3.19 32
90 1.02 10
91 23.86 239
92 3.78 38
95 1.99 20
102 1.9 19
103 13.91 139
104 3.18 32
105 5.73 57
106 1.05 11
107 27.44 274
108 1.72 17
115 6.67 67
116 1.86 19
117 3.02 30
118 1.27 13
119 2.31 23
120 2.53 25
121 1 10
131 2.35 24
132 1.19 12
133 2.21 22
135 8.15 82
146 2.16 22
147 6.65 67
148 1.25 13
162 1.49 15
163 36.13 361
164 3.33 33
178 99.99 999
179 10.06 101
//