MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010816
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010816
RECORD_TITLE: N-ACETYL-META-TOLUIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: N-ACETYL-META-TOLUIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11NO
CH$EXACT_MASS: 149.08406
CH$SMILES: CC(=O)Nc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
CH$LINK: INCHIKEY
ALMHSXDYCFOZQD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6024412
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-2900000000-cee4cfdfa2d602953d16
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
42 1.24 12
43 19.81 198
50 1.41 14
51 3.25 33
52 2.33 23
53 1.77 18
63 1.82 18
65 3.2 32
77 8.75 88
78 3.06 31
79 5.42 54
80 1.64 16
89 1 10
90 1.25 13
91 3.67 37
104 1.42 14
106 36.83 368
107 99.99 999
108 8.68 87
149 35.84 358
150 3.74 37
//