MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002124
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002124
RECORD_TITLE: META-ETHYL ANILINE; 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$NAME: META-ETHYL ANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11N
CH$EXACT_MASS: 121.08915
CH$SMILES: CCc(c1)cc(N)cc1
CH$IUPAC: InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3
CH$LINK: INCHIKEY
AMKPQMFZCBTTAT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1051434
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$SPLASH: splash10-0ab9-4900000000-a4b5f37ca091a8329011
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
27 1.89 19
28 7.59 76
30 1.53 15
39 6.47 65
41 2.93 29
42 2.01 20
44 2.81 28
51 3.48 35
52 2.62 26
53 3.66 37
58.5 4.27 43
59.5 2.44 24
63 2.38 24
65 5.98 60
66 3.05 31
77 18.06 181
78 5.06 51
79 15.62 156
80 4.39 44
89 1.4 14
91 6.35 64
92 1.77 18
93 8.79 88
94 3.66 37
103 4.03 40
104 2.75 28
106 99.99 999
107 11.35 114
118 3.36 34
119 2.56 26
120 18.3 183
121 73.76 738
122 9.21 92
//