MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002905
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002905
RECORD_TITLE: DODECAMETHYLENE IMINE; 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$NAME: DODECAMETHYLENE IMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H25N
CH$EXACT_MASS: 183.19870
CH$SMILES: C(C1)CCCCCNCCCCC1
CH$IUPAC: InChI=1S/C12H25N/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h13H,1-12H2
CH$LINK: INCHIKEY
UFADJPZTTUWZMP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10183696
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001l-9100000000-027eaf807c35795e4216
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
15 2.94 29
27 14.22 142
29 33.25 333
30 99.99 999
31 48.44 484
39 5.52 55
41 34.79 348
42 21.28 213
43 27.43 274
44 63.52 635
45 19.35 194
55 14.16 142
56 42.96 430
57 10.36 104
58 4.42 44
59 20.98 210
67 3.84 38
68 2.85 29
69 4.07 41
70 27.59 276
71 4.81 48
72 13.75 138
73 2.35 24
74 9.91 99
81 3.22 32
82 5.84 58
84 9.6 96
86 10.69 107
96 4.97 50
98 9.37 94
100 6.82 68
112 10.73 107
114 3.33 33
126 8.35 84
128 2.06 21
140 10.42 104
142 5.33 53
154 4.44 44
182 2.72 27
183 16.1 161
184 2 20
//