MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002127
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002127
RECORD_TITLE: N-ETHYL-PARA-TOLUIDINE; 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$NAME: N-ETHYL-PARA-TOLUIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13N
CH$EXACT_MASS: 135.10480
CH$SMILES: CCNc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
CH$LINK: INCHIKEY
AASABFUMCBTXRL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7060754
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$SPLASH: splash10-00di-4900000000-6d53ce0794464a508c44
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
27 3.58 36
28 4.63 46
29 1.68 17
39 4.79 48
41 1.91 19
50 1.44 14
51 4.04 40
52 2.43 24
53 1.73 17
58.5 2.2 22
59.5 4.1 41
60 4.04 40
63 2.31 23
65 8.38 84
77 8.43 84
78 2.43 24
79 3.41 34
89 2.25 23
90 1.73 17
91 17.85 179
92 5.2 52
93 3.59 36
104 1.62 16
105 1.68 17
106 3.93 39
118 5.55 56
119 4.04 40
120 99.99 999
121 9.53 95
132 1.16 12
133 1.79 18
134 7.51 75
135 38.42 384
136 4.04 40
//
system version 2.2.8-SNAPSHOT