MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011328
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011328
RECORD_TITLE: UNDECYLENIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: UNDECYLENIC ACID
CH$NAME: 10-UNDECENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O2
CH$EXACT_MASS: 184.14633
CH$SMILES: C=CCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
CH$LINK: CAS
112-38-9
CH$LINK: INCHIKEY
FRPZMMHWLSIFAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8035001
AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 12 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00ls-9600000000-b0c6c3ec0da35153ca5d
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
18 88.79 888
28 1.11 11
29 1.16 12
31 4.34 43
32 12.81 128
33 1.19 12
36 2.99 30
38 1.29 13
41 1.63 16
42 4.13 41
43 9.58 96
44 3.36 34
45 3.31 33
54 8.53 85
55 29.73 297
56 26.3 263
57 13.13 131
58 3.43 34
59 3.03 30
60 18.55 186
61 4.63 46
62 1.31 13
66 3.34 33
67 9.54 95
68 37.83 378
69 63.21 632
70 34.6 346
71 12.67 127
72 1.81 18
73 34.06 341
74 7.45 75
78 1.76 18
79 4.64 46
80 7.7 77
81 14.82 148
82 85.65 857
83 76.14 761
84 99.99 999
85 11.66 117
86 2.59 26
87 20.15 202
88 4.74 47
91 3.05 31
92 3.64 36
93 4.97 50
94 14.28 143
95 20.11 201
96 93.37 934
97 58.07 581
98 66.23 662
99 12.68 127
100 26.78 268
101 31 310
102 6.63 66
103 2.01 20
105 2.78 28
106 5.35 54
107 4.37 44
108 5.09 51
109 13.95 140
110 42.35 424
111 21.14 211
112 13.84 138
113 12.21 122
114 41.91 419
115 13.73 137
116 6.71 67
117 2.4 24
118 1.95 20
119 10.69 107
120 4.01 40
121 1.94 19
122 39.8 398
123 38.25 383
124 88.06 881
125 32.2 322
126 4.88 49
127 13.31 133
128 11.89 119
129 6.29 63
131 1.65 17
132 2.03 20
133 3.53 35
134 1.84 18
135 3.49 35
136 2.44 24
137 28.52 285
138 19.98 200
139 2.35 24
141 8.94 89
142 5.29 53
143 2.96 30
147 1.2 12
148 24.78 248
149 5.26 53
150 2.53 25
151 4 40
152 2.72 27
153 1.6 16
154 1.89 19
155 5.61 56
156 1.94 19
157 1.3 13
158 1.22 12
161 1.57 16
163 1.9 19
164 2.27 23
165 1.66 17
166 49.01 490
167 8.62 86
168 2.93 29
171 1.1 11
176 1.18 12
180 1.28 13
181 1.59 16
182 2.36 24
184 7.08 71
185 1.49 15
186 2.07 21
//