MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000081
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000081
RECORD_TITLE: ANTHRANILIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ANTHRANILIC ACID ETHYL ESTER
CH$NAME: ETHYL ORTHO AMINO BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11NO2
CH$EXACT_MASS: 165.07898
CH$SMILES: CCOC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3
CH$LINK: INCHIKEY
TWLLPUMZVVGILS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6025272
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-014i-5900000000-93092db3cfda9502465f
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 2.1 21
29 1.68 17
38 1.26 13
39 7.49 75
41 1.68 17
52 2.31 23
63 4.55 46
64 6.79 68
65 25.21 252
66 3.15 32
90 1.33 13
91 6.44 64
92 50.42 504
93 7.21 72
119 99.99 999
120 38.52 385
121 3.36 34
137 5.81 58
165 36.55 366
166 3.36 34
//