MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003785
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003785
RECORD_TITLE: ETHYL 4-ACETYLAMINOBENZOATE; CI-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$NAME: ETHYL 4-ACETYLAMINOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13NO3
CH$EXACT_MASS: 207.08954
CH$SMILES: CCOC(=O)c(c1)ccc(NC(C)=O)c1
CH$IUPAC: InChI=1S/C11H13NO3/c1-3-15-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
CH$LINK: INCHIKEY
NHLOBHNRBWKNIO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60277615
AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0a4i-0090000000-eaa2adfbfffd7182d456
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
63 0.31 3
65 0.49 5
67 0.11 1
79 0.21 2
91 0.16 2
92 0.25 3
93 0.15 2
120 1.85 19
121 0.22 2
137 0.6 6
162 1.71 17
165 2.18 22
166 0.49 5
176 0.32 3
180 0.25 3
194 0.57 6
206 0.81 8
207 8.98 90
208 99.99 999
209 13.5 135
210 1.56 16
//