MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002117
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002117
RECORD_TITLE: N-ETHYL-ORTHO-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$NAME: N-ETHYL-ORTHO-TOLUIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13N
CH$EXACT_MASS: 135.10480
CH$SMILES: CCNc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H13N/c1-3-10-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
CH$LINK: INCHIKEY
MWOUGPLLVVEUMM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1059107
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$SPLASH: splash10-00di-5900000000-dadcdf238a6e60ad5f3f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
27 3.14 31
28 3.52 35
29 1.35 14
30 1.6 16
39 5.96 60
41 2.56 26
42 1.92 19
44 5.12 51
50 1.41 14
51 4.48 45
52 2.43 24
53 1.35 14
58.5 2.43 24
59.5 1.86 19
60 1.28 13
63 2.56 26
65 10.89 109
77 7.56 76
78 2.24 22
79 3.27 33
89 1.92 19
91 24.34 243
92 4.42 44
93 7.56 76
103 1.35 14
104 1.86 19
105 1.54 15
106 6.34 63
107 1.41 14
117 3.07 31
118 11.92 119
119 4.16 42
120 99.99 999
121 9.48 95
133 1.28 13
134 4.55 46
135 37.48 375
136 4.36 44
//