MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009880
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009880
RECORD_TITLE: METHYL 5,9-DIMETHYL-4,8-DECADIENOATE(E); 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$NAME: METHYL 5,9-DIMETHYL-4,8-DECADIENOATE(E)
CH$NAME: FARNECIC ACID METHYL ESTER(E)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H22O2
CH$EXACT_MASS: 210.16198
CH$SMILES: COC(=O)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C13H22O2/c1-11(2)7-5-8-12(3)9-6-10-13(14)15-4/h7,9H,5-6,8,10H2,1-4H3/b12-9+
CH$LINK: CAS
19894-82-7
CH$LINK: INCHIKEY
AVFLRLAFBQUJGG-FMIVXFBMSA-N
AC$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-9400000000-0426439591e5c16d2e31
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
27 4.5 45
28 2.3 23
29 3.2 32
39 7 70
40 3 30
41 46.7 467
42 4 40
43 4.5 45
51 1.2 12
53 7.3 73
54 1.8 18
55 8.6 86
56 1.2 12
59 7.9 79
65 2.6 26
66 1.2 12
67 13.6 136
68 8 80
69 99.99 999
70 6.3 63
74 5.3 53
77 2.7 27
79 4.4 44
80 2.3 23
81 46.3 463
82 16.3 163
83 2.3 23
85 1.7 17
87 3.6 36
91 1.8 18
93 6 60
94 1.7 17
95 3 30
99 53.7 537
100 4.7 47
105 1.6 16
107 4 40
108 1.6 16
109 35.5 355
110 5.8 58
111 3 30
119 1.5 15
121 4 40
122 2 20
123 7 70
124 1 10
125 1 10
135 12.4 124
136 3.5 35
137 3.5 35
140 2.8 28
141 13.7 137
142 3.7 37
154 1.8 18
161 2.3 23
163 1.8 18
166 2.7 27
167 52.8 528
168 5.8 58
178 1.4 14
179 2.4 24
195 2.1 21
210 3.4 34
211 1.2 12
//
system version 2.2.8-SNAPSHOT