MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009879
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009879
RECORD_TITLE: METHYL 5,9-DIMETHYL-4,8-DECADIENOATE(Z); 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$NAME: METHYL 5,9-DIMETHYL-4,8-DECADIENOATE(Z)
CH$NAME: FARNECIC ACID METHYL ESTER(Z)
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: INCHIKEY
AVFLRLAFBQUJGG-XFXZXTDPSA-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$SPLASH: splash10-014i-9300000000-b846473c650bfa4f3bbe
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
27 3.5 35
29 2.6 26
39 5.9 59
41 40.3 403
42 2.2 22
43 2 20
54 6.5 65
55 6.5 65
59 5.6 56
67 10 100
68 7.6 76
69 99.99 999
70 5.8 58
74 5.2 52
77 2.2 22
79 3.8 38
80 1.8 18
81 29.5 295
82 18.2 182
83 1.7 17
87 1.8 18
91 1.8 18
93 6.5 65
94 2 20
95 5 50
99 26.2 262
107 3.4 34
109 31.2 312
110 5.8 58
121 4 40
122 1.5 15
123 5 50
135 7.4 74
136 3.5 35
137 2 20
141 6.7 67
142 1.8 18
154 1.5 15
162 1.6 16
163 1.7 17
167 28 280
168 2.6 26
178 1.8 18
179 2 20
210 8.3 83
//
system version 2.2.8-SNAPSHOT