MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005291
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005291
RECORD_TITLE: BETA-PICOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-PICOLINE
CH$NAME: 3-METHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7N
CH$EXACT_MASS: 93.05785
CH$SMILES: Cc(c1)cncc1
CH$IUPAC: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
CH$LINK: INCHIKEY
ITQTTZVARXURQS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021897
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-6547e160a6da43a20e11
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
26 2.01 20
27 2.98 30
28 3.53 35
31 1.04 10
37 3.6 36
38 8.23 82
39 28.3 283
40 12.38 124
41 2.8 28
45.5 1.1 11
50 3.29 33
51 5.37 54
52 2.68 27
53 2.32 23
54 2.5 25
61 2.25 23
62 3.54 35
63 7.44 74
64 3.53 35
65 23.49 235
66 39.28 393
67 9.82 98
78 3.53 35
91 1.83 18
92 30.01 300
93 99.99 999
94 7.07 71
//