MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000079
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000079
RECORD_TITLE: ANTHRANILIC ACID METHYL ESTER; 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$NAME: ANTHRANILIC ACID METHYL ESTER
CH$NAME: METHYL ORTHO AMINO BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NO2
CH$EXACT_MASS: 151.06333
CH$SMILES: COC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
CH$LINK: INCHIKEY
VAMXMNNIEUEQDV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6025567
AC$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: splash10-014l-9700000000-dfe3727f600ad4c1a3fc
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 1.41 14
29 2.25 23
37 1.48 15
38 4.78 48
39 16.53 165
40 3.52 35
41 5.27 53
50 2.04 20
51 2.11 21
52 6.68 67
62 2.67 27
63 9.99 100
64 13.36 134
65 39.94 399
66 4.99 50
90 3.09 31
91 10.62 106
92 75.25 753
93 6.4 64
119 99.99 999
120 29.4 294
121 2.25 23
151 41.21 412
152 3.66 37
//
system version 2.2.6-SNAPSHOT