MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001002
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001002
RECORD_TITLE: META-AMINOBENZOIC 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$NAME: META-AMINOBENZOIC ACID ETHYL ESTER
CH$NAME: ETHYL META-AMINOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11NO2
CH$EXACT_MASS: 165.07898
CH$SMILES: CCOC(=O)c(c1)cc(N)cc1
CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3
CH$LINK: INCHIKEY
ZMCBYSBVJIMENC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1044011
AC$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: splash10-01bc-8900000000-bf2dac372aedc49840de
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 6.13 61
28 4.53 45
29 6.33 63
38 2.72 27
39 14.85 149
40 1.43 14
41 4.5 45
42 1.36 14
43 1.36 14
46 3.27 33
50 1.23 12
51 1.23 12
52 3.41 34
60 4.09 41
62 1.5 15
63 6.06 61
64 6.13 61
65 42.44 424
66 7.08 71
91 7.36 74
92 78.54 785
93 36.99 370
94 2.59 26
109 1.7 17
119 1.98 20
120 99.99 999
121 16.42 164
137 30.99 310
138 2.25 23
150 4.29 43
165 80.52 805
166 8.04 80
//