MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000180
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000180
RECORD_TITLE: PARA AMINO ISOPROPYLBENZOATE; 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$NAME: PARA AMINO ISOPROPYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13NO2
CH$EXACT_MASS: 179.09463
CH$SMILES: CC(C)OC(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C10H13NO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3
CH$LINK: INCHIKEY
JWCPZKNBPMSYND-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90876034
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$SPLASH: splash10-00dr-5900000000-107567990c70812b83f2
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 5.58 56
29 1.72 17
38 1.23 12
39 11.29 113
40 1.78 18
41 8.59 86
42 1.35 14
43 5.71 57
45 12.27 123
63 3.07 31
64 3.13 31
65 24.54 245
66 3.01 30
90 1.23 12
91 3.87 39
92 21.6 216
93 3.68 37
119 1.29 13
120 99.99 999
121 13.5 135
136 1.23 12
137 55.09 551
138 4.48 45
179 23.19 232
180 2.39 24
//
system version 2.2.6-SNAPSHOT