MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004187
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004187
RECORD_TITLE: TRIPECANYLAMINE; 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$NAME: TRIPECANYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H29N
CH$EXACT_MASS: 199.23000
CH$SMILES: CCCCCCCCCCCCCN
CH$IUPAC: InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3
CH$LINK: INCHIKEY
ABVVEAHYODGCLZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0022199
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$SPLASH: splash10-001i-9100000000-a77427073cb0ce66876b
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
26 0.3 3
27 2.8 28
28 2.3 23
29 0.64 6
30 99.99 999
31 2.2 22
32 0.3 3
33 0.01 0
39 1.4 14
40 0.5 5
41 12 120
42 0.33 3
43 11 110
44 22 220
45 9 90
46 0.03 0
51 0.1 1
52 0.1 1
53 0.8 8
54 0.08 1
55 8.8 88
56 5.8 58
57 4.8 48
58 0.09 1
59 3.2 32
60 0.2 2
65 0.2 2
66 0.01 0
67 0.9 9
68 0.9 9
69 4.2 42
70 0.22 2
71 1.1 11
72 3 30
73 1.6 16
79 0.02 0
80 0.1 1
81 0.4 4
82 0.9 9
83 0.3 3
84 1.4 14
85 0.5 5
86 6.8 68
87 0.12 1
88 0.1 1
96 0.1 1
97 0.6 6
98 0.2 2
99 1.1 11
100 3.6 36
101 0.6 6
110 0.04 0
111 1.1 11
112 0.7 7
113 0.1 1
114 0.17 2
115 0.4 4
124 0.2 2
125 0.7 7
126 0.05 1
127 0.1 1
128 1.3 13
129 0.3 3
139 0.02 0
140 0.4 4
141 0.2 2
142 1.8 18
143 0.03 0
152 0.2 2
153 0.1 1
154 0.4 4
155 0.02 0
156 1.3 13
157 0.2 2
168 0.2 2
170 0.1 1
171 0.1 1
182 0.4 4
183 0.1 1
184 0.07 1
185 0.1 1
198 1.8 18
199 7.2 72
200 0.22 2
201 0.2 2
//
system version 2.2.8-SNAPSHOT