MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010911
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010911
RECORD_TITLE: 1,1-DIMETHYLPHENETYL CROTONATE; 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$NAME: 1,1-DIMETHYLPHENETYL CROTONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O2
CH$EXACT_MASS: 218.13068
CH$SMILES: [H]C(C)=C([H])C(=O)OC(C)(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h4-10H,11H2,1-3H3/b8-4+
CH$LINK: INCHIKEY
OKLPIYCKVVLHCP-XBXARRHUSA-N
CH$LINK: COMPTOX
DTXSID40905060
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$SPLASH: splash10-014i-9500000000-276e651c597005001d85
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
15 1.5 15
26 1.2 12
27 5.5 55
29 1.5 15
38 2.4 24
39 25.7 257
41 21.6 216
42 1.7 17
43 5.2 52
45 1.9 19
50 3.3 33
51 9.2 92
52 2 20
53 2.2 22
54 1.3 13
55 2.4 24
57 1 10
62 1.7 17
63 6.5 65
64 2.1 21
65 14.5 145
66 1.1 11
68 2.4 24
69 99.99 999
70 4.6 46
74 1.3 13
75 1.1 11
76 1.1 11
77 5.9 59
78 5.2 52
79 1.3 13
86 4.3 43
89 4.6 46
90 1.4 14
91 47.4 474
92 5.4 54
102 1.3 13
103 2.3 23
104 2.3 23
105 2.2 22
115 19.6 196
116 6.5 65
117 62.4 624
118 6.6 66
127 4.8 48
128 2 20
129 1.9 19
131 9.1 91
132 58.4 584
133 8.3 83
160 1.6 16
//