MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002025
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002025
RECORD_TITLE: 5-METHYL-1-PHENYLPYRAZOLE; 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$NAME: 5-METHYL-1-PHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10N2
CH$EXACT_MASS: 158.08440
CH$SMILES: Cc(c2)n(nc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H10N2/c1-9-7-8-11-12(9)10-5-3-2-4-6-10/h2-8H,1H3
CH$LINK: INCHIKEY
GIPOQOUSJKAZMC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80218464
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$SPLASH: splash10-0a4i-9700000000-9753400cbfa745ee62fd
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
26 3.7 37
27 14.6 146
28 8.4 84
29 0.15 2
37 1.7 17
38 6 60
39 20 200
40 0.56 6
41 6.2 62
42 5.1 51
43 1.5 15
50 1.06 11
51 45.3 453
52 10.2 102
53 5 50
54 0.49 5
55 5 50
62 2.3 23
63 9.4 94
64 0.86 9
65 9.8 98
66 7 70
67 1.8 18
74 0.22 2
75 2.7 27
76 4.7 47
77 64.7 647
78 1.14 11
79 4 40
81 6 60
89 8.6 86
90 1.56 16
91 8 80
92 2.8 28
93 10.6 106
102 0.18 2
103 5.7 57
104 6.8 68
105 1.7 17
106 0.18 2
115 3.8 38
116 6.4 64
117 9 90
118 0.68 7
119 1.2 12
128 2.9 29
129 3.6 36
130 3.67 37
131 5.4 54
132 3.5 35
142 3.3 33
143 0.65 7
144 4.4 44
145 2.8 28
154 1.7 17
155 0.23 2
156 5.4 54
157 59.4 594
158 99.99 999
159 1.19 12
160 1.4 14
//