ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY IIGAKARAJMXVOZ-MRVPVSSYSA-N

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
//