MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001130
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001130
RECORD_TITLE: METHYL 4-METHYL-3-DECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 4-METHYL-3-DECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCCC(C)=CCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O2/c1-4-5-6-7-8-11(2)9-10-12(13)14-3/h9H,4-8,10H2,1-3H3/b11-9+
CH$LINK: INCHIKEY
LKPVXFWQTFXGMA-PKNBQFBNSA-N
AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-016u-9100000000-eeb6b48b6344283504f5
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
26 3 30
27 5 50
28 61 610
29 49 490
30 2 20
31 2 20
32 14 140
33 1 10
37 1 10
38 2 20
39 34 340
40 10 100
41 92 920
42 14 140
43 44 440
44 2 20
45 4 40
50 4 40
51 7 70
52 6 60
53 28 280
54 6 60
55 98 980
56 9 90
57 11 110
58 1 10
59 29 290
60 1 10
61 1 10
62 1 10
63 2 20
65 6 60
66 4 40
67 40 400
68 73 730
69 99.99 999
70 9 90
71 5 50
72 2 20
73 6 60
74 21 210
75 3 30
76 1 10
77 7 70
78 9 90
79 9 90
80 3 30
81 43 430
82 14 140
83 28 280
84 3 30
85 17 170
86 5 50
87 8 80
88 2 20
89 1 10
91 2 20
92 1 10
93 2 20
94 1 10
95 19 190
96 38 380
97 12 120
98 5 50
99 12 120
100 1 10
101 1 10
105 1 10
107 1 10
108 1 10
109 13 130
110 17 170
111 6 60
112 1 10
113 3 30
114 2 20
115 6 60
116 1 10
121 1 10
122 2 20
123 3 30
124 18 180
125 6 60
126 1 10
127 4 40
128 24 240
129 4 40
130 1 10
133 1 10
137 2 20
138 4 40
139 7 70
140 1 10
141 5 50
142 2 20
143 1 10
148 1 10
151 1 10
155 2 20
164 1 10
166 3 30
198 7 70
199 2 20
//
system version 2.2.8-SNAPSHOT