MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002128
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002128
RECORD_TITLE: N-METHYL-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$NAME: N-METHYL-ORTHO-TOLUIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11N
CH$EXACT_MASS: 121.08915
CH$SMILES: CNc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
CH$LINK: COMPTOX
DTXSID4060600
CH$LINK: INCHIKEY
GUAWMXYQZKVRCW-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:69137
AC$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-5900000000-90109ecf624a152fd7c6
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
27 2.53 25
28 4.22 42
30 5.35 54
39 7.69 77
41 2.35 24
42 2.35 24
44 1.41 14
50 2.44 24
51 6.85 69
52 4.22 42
53 3.56 36
58.5 7.13 71
59.5 7.6 76
60.5 4.97 50
63 4.13 41
65 16.14 161
77 15.95 160
78 5.16 52
79 11.07 111
80 1.88 19
89 3.75 38
90 1.88 19
91 36.59 366
92 7.13 71
93 6.29 63
104 8.91 89
105 2.06 21
106 71.2 712
107 8.63 86
117 2.72 27
118 12.95 130
120 69.14 691
121 99.99 999
122 8.35 84
//
system version 2.2.8-SNAPSHOT