MassBank Record: JP000088



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

ACCESSION: JP000088
RECORD_TITLE: N-ACETYL-ISOLEUCINE 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$NAME: N-ACETYL-ISOLEUCINE METHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H17NO3 CH$EXACT_MASS: 187.12084 CH$SMILES: CCC([H])(C)C([H])(NC(C)=O)C(=O)OC CH$IUPAC: InChI=1S/C9H17NO3/c1-5-6(2)8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)/t6-,8-/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$SPLASH: splash10-004u-9100000000-34da34048ae8753af128 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 14 1.2 12 15 41.3 413 26 1.2 12 27 1.47 15 28 32.8 328 29 25.3 253 30 41 410 31 0.14 1 33 13.9 139 39 10 100 40 1.4 14 41 3.04 30 42 6.5 65 43 90.9 909 45 10.8 108 46 0.15 2 53 2 20 54 3.1 31 55 4.6 46 56 1.61 16 57 18.9 189 58 3.1 31 59 3.7 37 60 2.02 20 67 1.9 19 68 2.5 25 69 15.8 158 70 0.71 7 71 8.3 83 72 4.9 49 74 6.2 62 84 0.49 5 85 2.8 28 86 99.99 999 87 6.9 69 88 5.02 50 89 20.9 209 90 3.7 37 96 5.9 59 97 0.34 3 98 1.9 19 99 55.6 556 100 4 40 113 0.17 2 116 2.2 22 126 2.8 28 128 89.6 896 129 0.85 9 130 1.9 19 131 13.1 131 144 1.5 15 155 0.12 1 156 1.7 17 187 0.8 8 //