MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009847
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009847
RECORD_TITLE: (E)-ETHYL 3,7-DIMETHYL-2,6-OCTADIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: (E)-ETHYL 3,7-DIMETHYL-2,6-OCTADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O2
CH$EXACT_MASS: 196.14633
CH$SMILES: CCOC(=O)C([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C12H20O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h7,9H,5-6,8H2,1-4H3/b11-9+
CH$LINK: INCHIKEY
ZPKNTCZTABQJPS-PKNBQFBNSA-N
CH$LINK: COMPTOX
DTXSID50885541
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-014i-9300000000-d1b188a0546b49c194ae
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
27 6.1 61
29 7.5 75
39 8.4 84
40 0.17 2
41 44.8 448
42 2.5 25
43 4.1 41
51 0.1 1
53 5.6 56
54 2.1 21
55 2.6 26
65 0.1 1
67 4.2 42
68 2.7 27
69 99.99 999
70 0.58 6
77 1.2 12
79 1.4 14
81 2.9 29
82 0.95 10
83 8.8 88
85 2.8 28
91 1.5 15
93 0.13 1
95 1.2 12
100 20.3 203
101 1.1 11
107 0.33 3
108 1.9 19
109 1.4 14
113 2.1 21
122 0.84 8
123 18.6 186
124 1.6 16
128 26.3 263
129 0.21 2
150 2.8 28
151 12.3 123
152 1.4 14
153 0.44 4
196 2.5 25
//