MassBank Record: JP000089



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

ACCESSION: JP000089
RECORD_TITLE: N-ACETYL-VALINE METHYLESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-VALINE METHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H15NO3 CH$EXACT_MASS: 173.10519 CH$SMILES: COC(=O)C([H])(NC(C)=O)C(C)C CH$IUPAC: InChI=1S/C8H15NO3/c1-5(2)7(8(11)12-4)9-6(3)10/h5,7H,1-4H3,(H,9,10)/t7-/m0/s1
AC$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-022c-9100000000-22609d8ed02f02a27152 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 14 1.2 12 15 29 290 27 9 90 28 2.37 24 29 5.7 57 30 9 90 31 1.1 11 33 0.82 8 39 7 70 40 1.7 17 41 9.8 98 42 0.45 5 43 58.2 582 44 1.7 17 45 1.2 12 53 0.1 1 54 2.1 21 55 18.7 187 56 10.7 107 57 0.8 8 59 2.4 24 60 14.3 143 69 1.3 13 70 0.52 5 71 4.8 48 72 99.99 999 73 5.4 54 74 0.26 3 82 1.6 16 83 2.8 28 84 1 10 88 3.71 37 89 6.5 65 98 1.5 15 99 15.8 158 100 0.12 1 102 1 10 114 52.1 521 115 4.4 44 116 0.14 1 126 1 10 130 1.9 19 131 3.7 37 142 0.13 1 173 0.9 9 //