MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000485
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000485
RECORD_TITLE: 1,2,6-TRIMETHYLPIPERIDINE; 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$NAME: 1,2,6-TRIMETHYLPIPERIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H17N
CH$EXACT_MASS: 127.13610
CH$SMILES: CC(C1)N(C)C(C)CC1
CH$IUPAC: InChI=1S/C8H17N/c1-7-5-4-6-8(2)9(7)3/h7-8H,4-6H2,1-3H3
CH$LINK: INCHIKEY
COSHJOZVKGAYBP-UHFFFAOYSA-N
AC$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: splash10-03di-9400000000-a7ec9b574072932d3d44
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
27 8.1 81
29 5.4 54
30 4.9 49
39 0.27 3
40 2 20
41 11.2 112
42 34.7 347
43 1.23 12
51 1 10
53 2.8 28
54 37 370
55 1.02 10
56 16.3 163
57 13.3 133
58 12.2 122
67 0.2 2
68 4.2 42
69 2.3 23
70 20.3 203
71 0.58 6
72 1.7 17
79 1.1 11
80 1.2 12
81 0.48 5
82 3.6 36
83 2 20
84 10.2 102
85 0.17 2
94 1.9 19
95 1 10
96 4 40
97 0.12 1
98 26.5 265
99 2.6 26
110 3.8 38
111 0.1 1
112 99.99 999
113 12.2 122
126 3.7 37
127 6.6 66
//
system version 2.2.8-SNAPSHOT