MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004162
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004162
RECORD_TITLE: N-HEXYL-3-METHYL-2-PYRROLIDONE; 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$NAME: N-HEXYL-3-METHYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H21NO
CH$EXACT_MASS: 183.16231
CH$SMILES: CCCCCCN(C1)C(=O)C(C)C1
CH$IUPAC: InChI=1S/C11H21NO/c1-3-4-5-6-8-12-9-7-10(2)11(12)13/h10H,3-9H2,1-2H3
CH$LINK: INCHIKEY
MGAPDRUAYAADPG-UHFFFAOYSA-N
AC$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: splash10-03du-9800000000-29da6ddd11524c2f0e23
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
26 1 10
27 10.6 106
28 9.2 92
29 1.42 14
30 7 70
31 0.3 3
32 0.1 1
37 0.01 0
38 0.3 3
39 7 70
40 1.6 16
41 2.4 24
42 26 260
43 10.6 106
44 3.2 32
45 0.02 0
50 0.1 1
51 0.3 3
52 0.3 3
53 0.26 3
54 2.8 28
55 20.6 206
56 14 140
57 0.35 4
58 0.8 8
59 0.1 1
66 0.3 3
67 0.01 0
68 2.3 23
69 2.2 22
70 2.3 23
71 0.31 3
72 0.8 8
73 0.5 5
74 0.2 2
78 0.01 0
79 0.1 1
80 0.4 4
81 0.6 6
82 0.05 1
83 2.8 28
84 2.9 29
85 78 780
86 0.54 5
87 0.4 4
88 0.1 1
93 0.1 1
94 0.03 0
95 0.1 1
96 0.7 7
97 0.5 5
98 0.68 7
99 2.2 22
100 6.8 68
101 0.4 4
109 0.03 0
110 0.7 7
111 1 10
112 99.99 999
113 6.4 64
114 4.6 46
115 0.2 2
124 0.3 3
125 0.02 0
126 17.4 174
127 5.2 52
128 0.6 6
138 0.05 1
139 0.2 2
140 24 240
141 8 80
142 0.1 1
143 0.1 1
152 0.2 2
153 0.1 1
154 0.66 7
155 1.3 13
156 0.1 1
166 0.3 3
167 0.01 0
168 2 20
169 0.4 4
181 0.1 1
182 0.16 2
183 28.8 288
184 5.8 58
185 0.6 6
//
system version 2.2.8-SNAPSHOT