MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003983
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003983
RECORD_TITLE: 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$NAME: ORTHO-TOLUIDINE
CH$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$LINK: COMPTOX
DTXSID1026164
CH$LINK: INCHIKEY
RNVCVTLRINQCPJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7242
AC$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: splash10-0a4i-6900000000-68480e71423ffd272f9d
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
26 3 30
27 8.2 82
28 8.5 85
29 0.19 2
30 4 40
37 1.6 16
38 4 40
39 1.2 12
40 2 20
41 3 30
42 1.9 19
49 0.15 2
50 5.9 59
51 8.7 87
52 8.6 86
52.5 0.2 2
53 9.1 91
53.5 4.8 48
54 8.2 82
62 0.15 2
63 4.1 41
64 2.1 21
65 4 40
66 0.2 2
67 1.5 15
74 1.5 15
75 2.3 23
76 0.11 1
77 17 170
78 7.5 75
79 12 120
80 0.29 3
89 5.7 57
90 5 50
91 2.9 29
104 0.13 1
105 5.1 51
106 99.99 999
107 83.4 834
108 6 60
//