MassBank Record: JP002235



 N-BENZOYL(D5) GLYCINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002235
RECORD_TITLE: N-BENZOYL(D5) GLYCINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: N-BENZOYL(D5) GLYCINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9NO3 CH$EXACT_MASS: 179.05824 CH$SMILES: OC(=O)CNC(=O)c(c([2H])1)c([2H])c([2H])c([2H])c([2H])1 CH$IUPAC: InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D,5D
AC$INSTRUMENT: VARIAN MAT-44 AC$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$SPLASH: splash10-0il0-9700000000-5eb7d5acc34cdb44f3e0 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 51 1.33 13 52 10.48 105 53 5.32 53 54 50.74 507 55 4.15 42 56 2.66 27 57 0.16 2 59 0.16 2 61 0.16 2 63 0.16 2 71 0.16 2 72 0.16 2 73 0.16 2 76 2.49 25 77 2.32 23 78 1.33 13 79 0.16 2 80 4.15 42 81 13.31 133 82 78.53 785 83 6.65 67 85 0.16 2 86 0.16 2 95 0.16 2 96 0.16 2 97 0.16 2 105 2.32 23 106 0.16 2 107 0.16 2 108 0.99 10 109 14.47 145 110 99.99 999 111 7.98 80 117 0.16 2 120 0.16 2 121 0.16 2 127 0.16 2 132 0.16 2 136 0.16 2 138 6.32 63 139 7.65 77 140 19.63 196 141 1.16 12 142 0.16 2 165 0.16 2 166 0.16 2 184 0.99 10 185 0.16 2 //