MassBank Record: JP001792



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

ACCESSION: JP001792
RECORD_TITLE: ISOBUTYL 3-NITROBENZOATE; 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$NAME: ISOBUTYL 3-NITROBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H13NO4 CH$EXACT_MASS: 223.08446 CH$SMILES: CC(C)COC(=O)c(c1)cc(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C11H13NO4/c1-8(2)7-16-11(13)9-4-3-5-10(6-9)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$SPLASH: splash10-0zfr-9700000000-8652066e0ed4181780eb PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 27 2.13 21 29 6.21 62 39 2.98 30 40 3.69 37 41 12.46 125 43 4.36 44 50 6.16 62 51 1.42 14 55 4.07 41 56 99.99 999 57 9.24 92 63 1.04 10 64 1.42 14 65 4.26 43 72 1.04 10 73 1.42 14 74 1.52 15 75 5.31 53 76 20.84 208 77 2.27 23 92 4.22 42 93 1.09 11 103 1 10 104 28.61 286 105 2.51 25 120 2.37 24 121 3.79 38 122 2.37 24 134 4.64 46 137 1.75 18 150 94.74 947 151 16.3 163 152 2.37 24 168 6.21 62 169 1.18 12 //