MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004161
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004161
RECORD_TITLE: N-HEXYL-6-HYDROXYHEXANAMIDE; 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$NAME: N-HEXYL-6-HYDROXYHEXANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H25NO2
CH$EXACT_MASS: 215.18853
CH$SMILES: CCCCCCNC(=O)CCCCCO
CH$IUPAC: InChI=1S/C12H25NO2/c1-2-3-4-7-10-13-12(15)9-6-5-8-11-14/h14H,2-11H2,1H3,(H,13,15)
CH$LINK: INCHIKEY
DNHFCFYTJSCXOI-UHFFFAOYSA-N
AC$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: splash10-0536-9300000000-8b30fb08c7440ad9593a
PK$NUM_PEAK: 151
PK$PEAK: m/z int. rel.int.
25 0.2 2
26 1.8 18
27 26.4 264
28 2.1 21
29 42 420
30 99.99 999
31 44.8 448
32 0.17 2
33 0.1 1
38 0.5 5
39 17 170
40 0.34 3
41 95.6 956
42 24.8 248
43 98 980
44 6 60
45 10 100
46 1.1 11
47 0.4 4
50 0.04 0
51 0.8 8
52 0.6 6
53 6.6 66
54 0.64 6
55 56.6 566
56 20 200
57 26.2 262
58 2.5 25
59 8 80
60 13 130
61 0.4 4
62 0.03 0
63 0.2 2
64 0.2 2
65 1.1 11
66 0.08 1
67 11.2 112
68 4.8 48
69 79.6 796
70 1.36 14
71 7.6 76
72 26.4 264
73 75.4 754
74 0.39 4
75 0.5 5
76 0.3 3
77 0.4 4
78 0.03 0
79 8.8 88
80 1.3 13
81 1.9 19
82 0.23 2
83 4.6 46
84 12.8 128
85 20.2 202
86 5.32 53
87 38.4 384
88 2.4 24
89 0.2 2
94 0.04 0
95 1.2 12
96 1.9 19
97 44 440
98 1.2 12
99 4.2 42
100 37 370
101 35 350
102 1.26 13
103 0.8 8
104 0.2 2
105 0.2 2
107 0.02 0
108 0.3 3
109 1 10
110 0.5 5
111 0.07 1
112 4.2 42
113 3.1 31
114 38 380
115 5.4 54
116 4.6 46
117 0.6 6
118 0.2 2
124 0.02 0
125 0.6 6
126 9 90
127 11 110
128 3.52 35
129 3.7 37
130 1 10
131 0.2 2
132 0.06 1
133 0.2 2
134 0.2 2
138 0.4 4
139 0.04 0
140 5.4 54
141 3.7 37
142 1.4 14
143 9.6 96
144 11.4 114
145 34.4 344
146 2.3 23
147 0.02 0
148 0.1 1
149 1.7 17
150 0.2 2
151 0.01 0
152 0.3 3
153 0.2 2
154 15.6 156
155 0.36 4
156 48 480
157 4.7 47
158 10.4 104
159 0.19 2
160 0.4 4
161 0.1 1
166 0.1 1
167 0.03 0
168 4.2 42
169 1.1 11
170 11.4 114
171 0.2 2
172 32 320
173 5 50
174 0.5 5
180 0.03 0
181 0.2 2
182 1.4 14
183 0.4 4
184 0.6 6
185 6 60
186 16.6 166
187 2.1 21
188 0.01 0
194 0.1 1
195 0.2 2
196 1 10
197 0.5 5
198 6 60
199 1 10
200 2 20
201 0.04 0
212 0.2 2
213 0.4 4
214 2.6 26
215 3.2 32
216 41.4 414
217 0.5 5
218 0.1 1
//
system version 2.2.8-SNAPSHOT