MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003101
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003101
RECORD_TITLE: OXYPHENBUTAZONE 4-HYDROXYPHENYLBUTAZONE; 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$NAME: OXYPHENBUTAZONE 4-HYDROXYPHENYLBUTAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H20N2O3
CH$EXACT_MASS: 324.14739
CH$SMILES: CCCCC(C(=O)1)C(=O)N(c(c3)ccc(O)c3)N(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
CH$LINK: INCHIKEY
HFHZKZSRXITVMK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1045291
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9601000000-0e93b2309b6f4ff21792
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
32 11.1 111
39 13.7 137
41 16.9 169
43 0.43 4
51 5.7 57
52 5.1 51
53 1.1 11
55 2.44 24
64 11.1 111
65 17 170
66 2.1 21
77 3.11 31
79 0.1 1
80 0.9 9
91 15.1 151
92 0.49 5
93 99.99 999
94 9.8 98
108 6.7 67
109 7.88 79
119 27.7 277
120 9.1 91
121 6.8 68
135 1.53 15
148 18.4 184
149 10.9 109
162 25 250
163 0.03 0
164 1.3 13
199 34.3 343
200 4.1 41
206 1.41 14
324 21.3 213
326 8.2 82
//