MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005689
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005689
RECORD_TITLE: ANTIPYRINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ANTIPYRINE
CH$NAME: 2,3-DIMETHYL-1-PHENYL-3-PYRAZOLINE-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12N2O
CH$EXACT_MASS: 188.09496
CH$SMILES: CC(=C2)N(C)N(C(=O)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
CH$LINK: CAS
60-80-0
CH$LINK: INCHIKEY
VEQOALNAAJBPNY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021117
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-9600000000-297680e0a5f2e22c7de5
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
15 2.59 26
26 3.38 34
27 4.56 46
28 1.08 11
36 0.9 9
37 2.87 29
39 13.72 137
40 4.36 44
42 4.62 46
43 3.11 31
50 2.74 27
51 11.79 118
52 2.47 25
53 1.16 12
54 3.19 32
55 9.72 97
56 25.96 260
57 1.56 16
62 0.82 8
63 4.33 43
64 6.75 68
65 4.59 46
66 1.21 12
67 4.18 42
68 4.25 43
69 1.94 19
75 0.7 7
76 1.25 13
77 42.47 425
78 3.48 35
79 0.65 7
82 9.02 90
83 1.38 14
84 6.89 69
89 0.55 6
90 0.88 9
91 6.85 69
92 4.61 46
93 9.44 94
94 2.62 26
95 1.28 13
96 53.69 537
97 3.45 35
103 1.43 14
104 3.93 39
105 17.73 177
106 9.02 90
107 1.45 15
115 5 50
116 3.45 35
117 2.79 28
118 3.04 30
119 1.16 12
121 2.01 20
128 0.95 10
129 3.07 31
130 3.21 32
131 1.89 19
132 1.39 14
133 0.59 6
144 1.88 19
145 2.55 26
146 1.71 17
158 1.3 13
159 4.02 40
160 1.85 19
173 5.32 53
174 0.84 8
187 9.92 99
188 99.99 999
189 14.7 147
190 1.27 13
//