MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009114
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009114
RECORD_TITLE: METHYL 10-UNDECENOATE; 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$NAME: METHYL 10-UNDECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: C=CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
CH$LINK: CAS
111-81-9
CH$LINK: INCHIKEY
KISVAASFGZJBCY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5046566
AC$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: splash10-05fu-9100000000-e91d6f18ada053603952
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
14 1.53 15
15 8.04 80
18 1.13 11
26 1.19 12
27 13.63 136
29 18.95 190
30 1.33 13
31 2.77 28
39 21.74 217
41 74.1 741
42 13.84 138
43 26.23 262
44 1.49 15
45 4.01 40
51 1.38 14
53 8.32 83
54 12.08 121
55 88.37 884
56 8.86 89
57 6.05 61
59 29.93 299
60 1.07 11
65 1.56 16
66 1.33 13
67 17.24 172
68 14.48 145
69 35.57 356
70 4.11 41
71 3.64 36
72 1.57 16
73 6.53 65
74 99.99 999
75 7.21 72
77 1.3 13
79 3.44 34
80 3 30
81 12.53 125
82 19.85 199
83 28.29 283
84 23.52 235
85 4.3 43
87 49.35 494
88 5 50
93 2.03 20
94 2.84 28
95 7.36 74
96 28.98 290
97 13.37 134
98 11.89 119
99 2.2 22
100 1 10
101 5.17 52
107 2.03 20
108 1.13 11
109 3.38 34
110 6.3 63
111 3.43 34
112 1.25 13
113 2.84 28
114 3.77 38
115 4.38 44
119 1.53 15
122 4.76 48
123 7.52 75
124 24.67 247
125 6.03 60
127 1.87 19
128 2.35 24
129 1.7 17
137 4.58 46
138 3.52 35
141 1.67 17
148 2.18 22
149 5.77 58
155 1.24 12
166 8.4 84
167 3.13 31
//
system version 2.2.8-SNAPSHOT