MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000469
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000469
RECORD_TITLE: 1,3,5-TRIMETHYLPYRAZOLE; 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$NAME: 1,3,5-TRIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10N2
CH$EXACT_MASS: 110.08440
CH$SMILES: [H]c(c(C)1)c(C)n(C)n1
CH$IUPAC: InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3
CH$LINK: INCHIKEY
HNOQAFMOBRWDKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70147951
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$SPLASH: splash10-08fr-8900000000-529cf812ec193015d799
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
26 1.9 19
27 6.7 67
28 9.2 92
29 0.22 2
30 1.6 16
31 1.8 18
38 2.7 27
39 1.94 19
40 6.1 61
41 16.4 164
42 17.4 174
43 0.76 8
50 1 10
51 2.4 24
52 3.2 32
53 0.34 3
54 6.9 69
55 5.4 54
56 13.1 131
57 0.24 2
63 2 20
64 1 10
65 6.7 67
66 0.45 5
67 6.8 68
68 13 130
69 4 40
70 0.14 1
71 1.1 11
79 1.8 18
80 2.9 29
81 0.24 2
82 10 100
83 2 20
93 1.3 13
94 0.11 1
95 28.3 283
96 2.5 25
97 1 10
108 0.17 2
109 77.1 771
110 99.99 999
111 7.5 75
112 0.3 3
//