MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001334
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001334
RECORD_TITLE: 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$NAME: ORTHO-TOLUIDINE
CH$NAME: ORTHO-AMINOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H9N
CH$EXACT_MASS: 107.07350
CH$SMILES: Cc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
CH$LINK: INCHIKEY
RNVCVTLRINQCPJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1026164
AC$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: splash10-0a4i-5900000000-2768b43eabd390a64db4
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
27 3.01 30
28 4.26 43
30 2.21 22
38 2.06 21
39 6.84 68
40 1.32 13
41 2.13 21
42 1.47 15
50 3.24 32
51 6.69 67
52 5.96 60
52.5 2.13 21
53 6.62 66
53.5 3.38 34
54 2.21 22
63 2.94 29
64 1.54 15
65 2.94 29
66 1.47 15
77 16.1 161
78 5.73 57
79 13.9 139
80 3.9 39
89 6.03 60
90 5.15 52
91 3.31 33
104 2.79 28
105 1.99 20
106 99.99 999
107 85.44 854
108 6.18 62
//