MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009918
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009918
RECORD_TITLE: ACETOPHENONE 2-METHOXYCARBONYLPHENYLHYDRAZONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ACETOPHENONE 2-METHOXYCARBONYLPHENYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H16N2O2
CH$EXACT_MASS: 268.12118
CH$SMILES: COC(=O)c(c2)c(ccc2)NN=C(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H16N2O2/c1-12(13-8-4-3-5-9-13)17-18-15-11-7-6-10-14(15)16(19)20-2/h3-11,18H,1-2H3/b17-12-
CH$LINK: INCHIKEY
GMSDKZMVKPYFOV-ATVHPVEESA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-00n0-5590000000-7949f8e2c9baa967d3cf
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
26 0.2 2
27 2.6 26
28 3.4 34
38 0.17 2
39 8.6 86
40 0.3 3
42 2.8 28
50 0.52 5
51 21 210
52 5.2 52
53 1.4 14
59 0.1 1
62 1.2 12
63 6.9 69
64 5.9 59
65 0.72 7
66 0.3 3
74 0.3 3
75 1.7 17
76 0.59 6
77 55.7 557
78 16.6 166
79 2.4 24
84 0.29 3
89 1.6 16
90 6.9 69
91 8.8 88
92 0.97 10
93 1 10
102 2.8 28
103 37.9 379
104 1.09 11
105 12.1 121
106 1.7 17
118 14.7 147
119 0.81 8
120 2.9 29
129 0.3 3
131 0.3 3
133 0.17 2
134 35.9 359
135 6 60
136 0.3 3
139 0.16 2
140 0.5 5
150 0.5 5
151 1.6 16
152 0.03 0
165 9.1 91
166 4.3 43
167 3.4 34
168 0.14 1
178 2.9 29
179 2.4 24
180 1.2 12
191 0.02 0
193 4 40
194 3.6 36
195 1.2 12
206 0.07 1
207 10.3 103
208 8.8 88
209 2.6 26
220 0.1 1
221 2.2 22
235 99.99 999
236 34.3 343
237 0.41 4
267 1.2 12
268 88.1 881
269 15.9 159
270 1.6 16
//