MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000498
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000498
RECORD_TITLE: 5-(1-BUTYNYL)-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$NAME: 5-(1-BUTYNYL)-2-METHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11N
CH$EXACT_MASS: 145.08915
CH$SMILES: CCC#Cc(c1)cnc(C)c1
CH$IUPAC: InChI=1S/C10H11N/c1-3-4-5-10-7-6-9(2)11-8-10/h6-8H,3H2,1-2H3
CH$LINK: INCHIKEY
SOXYKYZFWYEZFK-UHFFFAOYSA-N
AC$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: splash10-000w-3900000000-188c84a373d30abebcae
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
26 1.7 17
27 6.1 61
28 8.7 87
38 0.17 2
39 2.8 28
40 1.7 17
41 2.3 23
42 0.12 1
50 7.8 78
51 14.5 145
52 6.5 65
53 0.85 9
58.5 1.1 11
61 1.2 12
62 5.7 57
63 1.45 15
64 3.1 31
65 6.1 61
66 1.1 11
72.5 0.13 1
74 4.4 44
75 6.1 61
76 6.1 61
77 2.18 22
78 8.7 87
79 1.3 13
86 1.4 14
87 0.26 3
88 1.7 17
89 6.1 61
90 2.6 26
91 0.7 7
92 1.3 13
101 2.2 22
102 7 70
103 1.39 14
104 7 70
114 1 10
115 11.6 116
116 0.39 4
117 7.3 73
118 3.1 31
127 1 10
128 0.65 7
129 3.1 31
130 56.6 566
131 6.5 65
142 0.26 3
143 8.7 87
144 99.99 999
145 95.8 958
146 10.8 108
//