MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000482
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000482
RECORD_TITLE: 1,3-DIMETHYLPIPERIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 1,3-DIMETHYLPIPERIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H15N
CH$EXACT_MASS: 113.12045
CH$SMILES: CC(C1)CN(C)CC1
CH$IUPAC: InChI=1S/C7H15N/c1-7-4-3-5-8(2)6-7/h7H,3-6H2,1-2H3
CH$LINK: INCHIKEY
ONQLCPDIXPYJSS-UHFFFAOYSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01ox-9300000000-ac33fea9a6b9ae5f098e
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
26 2.5 25
27 10.5 105
29 5 50
30 0.37 4
36 1 10
38 1.2 12
39 13.6 136
40 0.32 3
41 23.6 236
42 53.2 532
43 76.7 767
45 0.15 2
50 1 10
51 1.5 15
52 1.4 14
53 0.39 4
54 3.2 32
55 8.1 81
56 5.7 57
57 1.26 13
58 57.5 575
59 2.5 25
64 1 10
65 0.18 2
66 1.4 14
67 4.1 41
68 6 60
69 0.54 5
70 17.7 177
71 18 180
72 1.7 17
78 0.12 1
79 2 20
80 1.8 18
81 3.6 36
82 0.56 6
83 2.1 21
84 22.3 223
85 3.5 35
92 0.12 1
93 1.5 15
94 3.1 31
95 1.5 15
96 0.62 6
97 3 30
98 13.9 139
99 1.8 18
101 0.12 1
105 1 10
108 1.2 12
110 3 30
111 0.26 3
112 99.99 999
113 53.2 532
114 4.2 42
//