MassBank Record: JP009677



 ETHYL 4-CARBAMOYL-3,5-DIMETHYLBENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009677
RECORD_TITLE: ETHYL 4-CARBAMOYL-3,5-DIMETHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-CARBAMOYL-3,5-DIMETHYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H15NO3 CH$EXACT_MASS: 221.10519 CH$SMILES: CCOC(=O)c(c1)cc(C)c(C(N)=O)c(C)1 CH$IUPAC: InChI=1S/C12H15NO3/c1-4-16-12(15)9-5-7(2)10(11(13)14)8(3)6-9/h5-6H,4H2,1-3H3,(H2,13,14) CH$LINK: INCHIKEY LURKQVNXGQMQEE-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300 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: splash10-00b9-9870000000-531267392f200aedef02 PK$NUM_PEAK: 79 PK$PEAK: m/z int. rel.int. 26 2.3 23 27 15.8 158 29 18.8 188 30 0.25 3 31 1 10 39 10.6 106 40 1 10 41 0.4 4 42 3.8 38 43 13.3 133 44 23 230 45 0.4 4 50 2.9 29 51 10.9 109 52 4.4 44 53 0.59 6 54 1.1 11 55 2.7 27 57 1.9 19 62 0.63 6 63 8.5 85 64 2.7 27 65 8 80 66 0.21 2 67 1.8 18 69 1.5 15 74 1.6 16 75 0.23 2 76 3 30 77 34.9 349 78 13 130 79 1.35 14 80 3 30 87 1.2 12 88 1.1 11 89 0.34 3 90 1.2 12 91 12 120 92 2.3 23 93 0.58 6 101 1 10 102 5.2 52 103 27.6 276 104 1.59 16 105 11.2 112 106 6.8 68 107 1.3 13 116 0.1 1 117 2.4 24 118 3 30 119 2.5 25 120 0.69 7 121 5.8 58 130 3.9 39 131 9 90 132 1.09 11 133 7.4 74 146 1 10 147 4.3 43 148 0.94 9 149 15.1 151 150 2.4 24 158 2.1 21 160 0.12 1 162 1 10 175 1.6 16 176 76.6 766 177 2.39 24 178 2.9 29 192 2.8 28 193 4.3 43 204 7.95 80 205 47.6 476 206 9.8 98 207 1.1 11 220 0.13 1 221 99.99 999 222 15.1 151 223 1.7 17 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)