MassBank Record: JP001000



 PARA-NITROBENZOIC ACID ISOBUTYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001000
RECORD_TITLE: PARA-NITROBENZOIC ACID ISOBUTYL 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$NAME: PARA-NITROBENZOIC ACID ISOBUTYL ESTER CH$NAME: ISOBUTYL PARA-NITROBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H13NO4 CH$EXACT_MASS: 223.08446 CH$SMILES: CC(C)COC(=O)c(c1)ccc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C11H13NO4/c1-8(2)7-16-11(13)9-3-5-10(6-4-9)12(14)15/h3-6,8H,7H2,1-2H3
AC$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: splash10-0zfr-9500000000-86bdfe4a4f48df333fd7 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 27 3.54 35 28 1.81 18 29 7.24 72 39 5.67 57 41 18.5 185 42 2.36 24 43 7.56 76 50 10.63 106 51 1.81 18 55 4.09 41 56 99.99 999 57 9.45 95 63 1.57 16 64 2.91 29 65 6.85 69 73 2.36 24 74 2.99 30 75 7.87 79 76 24.65 247 77 2.36 24 92 13.94 139 93 2.36 24 103 1.73 17 104 27 270 105 2.36 24 120 13.23 132 121 5.67 57 122 1.26 13 134 3.86 39 150 80 800 151 11.18 112 152 1.57 16 168 3.78 38 //