MassBank Record: JP000707



 3-BENZOYLAMINOCHROMANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000707
RECORD_TITLE: 3-BENZOYLAMINOCHROMANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-BENZOYLAMINOCHROMANONE CH$NAME: 3-BENZAMIDOCHROMAN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H13NO3 CH$EXACT_MASS: 267.08954 CH$SMILES: c(c3)ccc(c3)C(=O)NC(C1)C(=O)c(c2)c(ccc2)O1 CH$IUPAC: InChI=1S/C16H13NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)17-16(19)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,17,19)
AC$INSTRUMENT: JEOL JMS-06-H AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05bb-3900000000-cfe32bb15ccd945c0d68 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 27 3.6 36 28 10.9 109 39 5 50 41 0.23 2 50 5.7 57 51 21.9 219 52 2 20 63 0.4 4 64 3.9 39 65 5.5 55 75 2.3 23 76 0.66 7 77 82.6 826 78 7.3 73 91 4.6 46 92 1.34 13 93 3.8 38 104 2.8 28 105 99.99 999 106 0.97 10 118 4.3 43 120 21.9 219 121 78.1 781 122 0.7 7 135 2 20 146 85.8 858 147 58.3 583 148 0.6 6 149 5.7 57 162 4.4 44 163 2.1 21 225 0.23 2 267 14.2 142 268 2.4 24 //