MassBank Record: JP000090



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

ACCESSION: JP000090
RECORD_TITLE: N-ACETYL-LEUCINE 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$NAME: N-ACETYL-LEUCINE METHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H17NO3 CH$EXACT_MASS: 187.12084 CH$SMILES: COC(=O)C([H])(CC(C)C)NC(C)=O CH$IUPAC: InChI=1S/C9H17NO3/c1-6(2)5-8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)/t8-/m1/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$SPLASH: splash10-002r-9100000000-520507d1312e82b4c47e PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 15 33.2 332 27 16 160 28 20 200 29 0.78 8 30 48 480 31 1.6 16 33 8.4 84 39 0.84 8 40 1.4 14 41 19.2 192 42 12 120 43 6.32 63 44 33.6 336 45 1 10 53 2 20 54 0.12 1 55 3.2 32 56 5 50 57 5 50 59 0.26 3 60 5.8 58 67 2.2 22 68 2.6 26 69 0.32 3 70 8.8 88 71 3.6 36 72 1.8 18 73 0.14 1 74 1.8 18 84 3.6 36 85 2.6 26 86 99.99 999 87 7 70 88 21.2 212 89 6.6 66 96 0.12 1 99 13.6 136 102 3.8 38 112 3.8 38 113 0.22 2 128 47.4 474 129 5.2 52 130 2 20 131 1.28 13 144 1.8 18 156 1.2 12 187 1.2 12 //