MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000184
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000184
RECORD_TITLE: ANTHRANILIC ACID AMYL 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$NAME: ANTHRANILIC ACID AMYL ESTER
CH$NAME: ORTHO AMINO AMYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H17NO2
CH$EXACT_MASS: 207.12593
CH$SMILES: CCCCCOC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C12H17NO2/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8H,2-3,6,9,13H2,1H3
CH$LINK: INCHIKEY
JCKCYPSMCQDSHT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70184189
AC$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-3910000000-07b1f3c3665a4f2c6c9e
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 1.54 15
29 1.27 13
39 3.87 39
41 4.03 40
43 3.92 39
63 1.43 14
64 2.33 23
65 15.79 158
66 2.12 21
91 2.65 27
92 26.07 261
93 2.81 28
119 99.99 999
120 32.43 324
121 2.91 29
137 32.75 328
138 2.97 30
189 1.17 12
207 18.02 180
208 2.17 22
//