MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004384
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004384
RECORD_TITLE: 5-ISOPENTYL-2-METHYLPYRIDINE; 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$NAME: 5-ISOPENTYL-2-METHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H17N
CH$EXACT_MASS: 163.13610
CH$SMILES: CC(C)CCc(c1)cnc(C)c1
CH$IUPAC: InChI=1S/C11H17N/c1-9(2)4-6-11-7-5-10(3)12-8-11/h5,7-9H,4,6H2,1-3H3
CH$LINK: INCHIKEY
HCWRYGVKWIWVQM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90341257
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$SPLASH: splash10-0a4i-8900000000-6488987202764ccb1a00
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
39 19.1 191
40 1 10
41 20.5 205
42 0.46 5
43 19 190
44 14.1 141
50 4.8 48
51 0.96 10
52 7 70
53 6.7 67
55 3.5 35
56 0.1 1
57 16.4 164
63 3.7 37
65 8.1 81
66 0.43 4
77 34.2 342
78 14.5 145
79 15 150
91 0.61 6
92 4.6 46
93 5.4 54
94 6.3 63
105 0.23 2
106 99.99 999
107 70.5 705
108 8.4 84
119 0.43 4
120 20 200
121 2.1 21
148 3.5 35
163 4.02 40
164 5.7 57
//