MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007847
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007847
RECORD_TITLE: 5-ETHYL-2-METHYLPYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 5-ETHYL-2-METHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11N
CH$EXACT_MASS: 121.08915
CH$SMILES: CCc(c1)cnc(C)c1
CH$IUPAC: InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3
CH$LINK: CAS
104-90-5
CH$LINK: INCHIKEY
NTSLROIKFLNUIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021861
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0adi-7900000000-a64ea8a8474480267f8b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 8.42 84
28 1.01 10
29 1.31 13
39 14.57 146
40 1.16 12
41 4.71 47
51 9.62 96
52 3.06 31
53 8.12 81
63 1.78 18
64 1.99 20
65 11.42 114
66 4.81 48
77 31.09 311
78 7.38 74
79 33.34 333
80 2.03 20
91 5.72 57
92 3.34 33
93 9.02 90
105 1.28 13
106 99.99 999
107 9.92 99
120 22.53 225
121 54.06 541
122 4.69 47
//