MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000894
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000894
RECORD_TITLE: 1,3,4-TRIMETHYL-2-PYRAZOLINE; 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$NAME: 1,3,4-TRIMETHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12N2
CH$EXACT_MASS: 112.10005
CH$SMILES: CN(C1)N=C(C)C(C)1
CH$IUPAC: InChI=1S/C6H12N2/c1-5-4-8(3)7-6(5)2/h5H,4H2,1-3H3
CH$LINK: INCHIKEY
UWCOGVAFZZBWAT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10340666
AC$INSTRUMENT: SHIMADZU LKB-2091
AC$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$SPLASH: splash10-0005-9100000000-a97ca73759cbb7b0601f
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
26 1.8 18
27 8.1 81
28 18.7 187
29 0.44 4
30 7.8 78
38 1 10
39 9.4 94
40 0.28 3
41 17.8 178
42 62.5 625
43 14.1 141
44 0.3 3
51 1 10
52 1 10
53 3.1 31
54 0.31 3
55 2.6 26
56 26 260
57 1.4 14
66 0.05 1
67 1.1 11
68 10.8 108
69 8.8 88
70 1.37 14
71 1 10
80 0.4 4
81 1 10
82 0.23 2
95 2.8 28
96 1.7 17
97 99.99 999
98 0.63 6
109 1.4 14
110 2.3 23
111 43.8 438
112 7.34 73
113 5.3 53
//