MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003475
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003475
RECORD_TITLE: METHYL 4-ACETYLAMINOBENZOATE; 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$NAME: METHYL 4-ACETYLAMINOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11NO3
CH$EXACT_MASS: 193.07389
CH$SMILES: COC(=O)c(c1)ccc(NC(C)=O)c1
CH$IUPAC: InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-8(4-6-9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
CH$LINK: INCHIKEY
QKWTXJSLAZKYGV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10342009
AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fdo-4900000000-0d74e16bbc70873ac866
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
39 3.84 38
40 0.13 1
41 1.73 17
42 1.33 13
43 57.08 571
44 1.52 15
45 0.35 4
50 0.2 2
51 0.5 5
52 0.92 9
53 0.42 4
54 0.29 3
55 0.17 2
57 0.18 2
58 0.18 2
59 2.09 21
63 1.82 18
64 3.49 35
65 19.87 199
66 2.44 24
67 0.38 4
70 0.16 2
71 0.64 6
74 0.26 3
75 0.72 7
76 0.53 5
77 1.29 13
78 0.56 6
79 1.05 11
80 0.44 4
81 0.22 2
87 0.16 2
89 0.19 2
90 2.46 25
91 5.31 53
92 25.07 251
93 3.72 37
94 0.36 4
96 6.99 70
106 1.15 12
107 0.95 10
108 0.73 7
109 0.14 1
115 0.1 1
117 0.21 2
119 11.12 111
120 99.99 999
121 13.03 130
122 2.42 24
123 0.35 4
130 0.14 1
132 0.26 3
133 0.7 7
134 0.78 8
135 0.49 5
136 1.04 10
137 0.1 1
144 0.33 3
146 1.76 18
148 0.4 4
149 0.25 3
150 2.34 23
151 91.56 916
152 9.97 100
153 0.91 9
160 0.2 2
162 13.95 140
163 1.51 15
164 0.54 5
178 0.34 3
192 0.21 2
193 41.21 412
194 4.97 50
195 0.61 6
//
system version 2.2.8-SNAPSHOT