MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004017
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004017
RECORD_TITLE: N-ETHYL-ORTHO-TOLUIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-00di-7900000000-e74d73cdca402960f89b
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
15 3.8 38
17 1.9 19
18 6.9 69
26 0.12 1
27 9.1 91
28 6.8 68
29 4.2 42
30 0.15 2
38 2.1 21
39 11.2 112
40 1.1 11
41 0.31 3
42 1.3 13
44 1 10
50 3 30
51 0.82 8
52 4.8 48
53 3.2 32
54 1.5 15
58 0.35 4
59 3.2 32
60 2.5 25
61 2 20
62 0.18 2
63 4.2 42
64 1.8 18
65 12.3 123
66 0.1 1
75 1.2 12
76 1.2 12
77 10.5 105
78 0.41 4
79 3.3 33
80 1.3 13
89 3.9 39
90 0.13 1
91 22.9 229
92 5 50
93 2 20
104 0.2 2
105 1.6 16
106 16.1 161
117 1.5 15
118 0.74 7
119 3.5 35
120 99.99 999
134 6 60
135 33 330
//