MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004151
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004151
RECORD_TITLE: N-OCTYL-EPSILON-CAPROLACTAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: N-OCTYL-EPSILON-CAPROLACTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H27NO
CH$EXACT_MASS: 225.20926
CH$SMILES: CCCCCCCCN(C1)C(=O)CCCC1
CH$IUPAC: InChI=1S/C14H27NO/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14(15)16/h2-13H2,1H3
CH$LINK: INCHIKEY
VKAMZEDHHWTTNZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00373009
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-004i-9800000000-3d12a7287a36a3650fc0
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
26 0.4 4
27 7.4 74
28 6.6 66
29 1.18 12
30 10.6 106
31 0.3 3
32 0.4 4
38 0.01 0
39 5.4 54
40 1.2 12
41 31.2 312
42 1.46 15
43 16.2 162
44 19.2 192
45 0.6 6
46 0.01 0
51 0.3 3
52 0.1 1
53 1.7 17
54 0.19 2
55 20 200
56 8 80
57 7.4 74
58 0.18 2
59 0.4 4
60 0.6 6
65 0.4 4
66 0.03 0
67 4.6 46
68 2 20
69 14 140
70 0.6 6
71 2.8 28
72 1.5 15
73 1.9 19
74 0.01 0
79 0.7 7
80 0.4 4
81 1.7 17
82 0.12 1
83 1.3 13
84 5.2 52
85 24.2 242
86 0.25 3
87 1.2 12
93 0.1 1
94 0.4 4
95 0.14 1
96 2.1 21
97 2.1 21
98 51.8 518
99 0.78 8
100 1.5 15
101 0.6 6
105 0.1 1
106 0.02 0
107 0.1 1
108 0.4 4
109 0.3 3
110 0.05 1
111 0.5 5
112 5.2 52
113 10.4 104
114 1.2 12
115 1.2 12
116 0.2 2
117 0.1 1
124 0.04 0
125 0.4 4
126 99.99 999
127 44 440
128 0.54 5
129 0.6 6
130 0.3 3
131 0.1 1
132 0.01 0
133 0.1 1
138 0.5 5
139 0.2 2
140 2.32 23
141 6.2 62
142 2.3 23
143 0.3 3
144 0.01 0
152 0.3 3
153 0.1 1
154 11.8 118
155 0.9 9
156 2 20
157 0.2 2
158 0.1 1
166 0.02 0
167 0.1 1
168 7.6 76
169 12 120
170 0.15 2
171 1.4 14
172 0.2 2
180 0.1 1
181 0.01 0
182 13.8 138
183 2.5 25
184 1 10
185 0.02 0
191 0.1 1
192 0.1 1
193 0.1 1
194 0.01 0
195 0.1 1
196 5.4 54
197 1.2 12
198 0.04 0
208 0.3 3
209 0.1 1
210 2 20
211 0.03 0
212 0.1 1
223 0.3 3
224 1.4 14
225 2.84 28
226 5.2 52
227 0.7 7
//