MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001335
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001335
RECORD_TITLE: ORTH0-AMINOBENZOIC ACID; 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$NAME: ORTH0-AMINOBENZOIC ACID
CH$NAME: ANTHRANILIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO2
CH$EXACT_MASS: 137.04768
CH$SMILES: OC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
CH$LINK: INCHIKEY
RWZYAGGXGHYGMB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020094
AC$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: splash10-00kf-9400000000-b65ee27505e8c4bcca28
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
29 2.41 24
38 3.46 35
39 10.2 102
40 2.41 24
41 7.99 80
42 2.21 22
43 5.44 54
44 10.89 109
50 2.76 28
51 2.89 29
52 4.2 42
55 5.86 59
56 3.79 38
57 5.03 50
62 2.76 28
63 7.72 77
64 10.89 109
65 21.57 216
66 25.5 255
67 3.51 35
69 4.96 50
70 4.14 41
71 2.69 27
77 3.31 33
83 4.07 41
90 2.41 24
91 12.34 123
92 72.64 726
93 77.74 777
94 5.93 59
97 4.07 41
105 2.62 26
115 3.38 34
119 99.99 999
120 13.99 140
137 49.9 499
138 4.34 43
//