MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001818
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001818
RECORD_TITLE: ORTHO-ANISIDINE; 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$NAME: ORTHO-ANISIDINE
CH$NAME: ORTHO-METHOXYANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H9NO
CH$EXACT_MASS: 123.06841
CH$SMILES: COc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
CH$LINK: INCHIKEY
VMPITZXILSNTON-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5023877
AC$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: splash10-0ac0-8900000000-1e225ec069e10e5f0553
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 2.44 24
26 1.4 14
27 5.98 60
28 7.8 78
29 1.28 13
37 1.28 13
38 3.54 35
38.5 1.1 11
39 10.3 103
40 1.22 12
41 3.11 31
50 3.66 37
51 6.71 67
52 13.6 136
53 20.67 207
54 3.66 37
62 1.46 15
63 3.66 37
64 2.32 23
65 12.8 128
66 2.5 25
77 2.13 21
78 2.5 25
79 2.13 21
80 67.56 676
81 4.57 46
91 1 10
92 5.98 60
93 2.13 21
94 1.89 19
108 99.99 999
109 7.62 76
123 85.85 859
124 7.43 74
//