ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005475
RECORD_TITLE: N-ACETYL-L-ACOSAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-L-ACOSAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₅NO₄
CH$EXACT_MASS: 189.10011
CH$SMILES: O=CCC([H])(NC(C)=O)C([H])(O)C([H])(C)O
CH$IUPAC: InChI=1S/C8H15NO4/c1-5(11)8(13)7(3-4-10)9-6(2)12/h4-5,7-8,11,13H,3H2,1-2H3,(H,9,12)/t5-,7-,8-/m0/s1
CH$LINK: INCHIKEY KJUOTNQKCLKJFB-GEVIPFJHSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-044i-5900000000-493d247825cbec8255a1
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  41 0.4 4
  42 1.7 17
  43 1 10
  44 3 30
  46 1.6 16
  55 1.1 11
  56 1.2 12
  57 0.82 8
  58 2.6 26
  59 29.8 298
  60 67.3 673
  61 0.29 3
  67 1.1 11
  68 9.3 93
  69 4.1 41
  71 0.12 1
  72 57.3 573
  73 1.9 19
  74 4.4 44
  82 0.12 1
  83 2.5 25
  84 6.1 61
  85 7 70
  86 3.71 37
  87 2.6 26
  88 3.2 32
  96 1 10
  97 0.22 2
  98 4.5 45
  99 22.3 223
  100 5.9 59
  101 5.44 54
  102 7.6 76
  103 2.7 27
  104 1.1 11
  105 0.03 0
  110 4.5 45
  111 1.3 13
  112 7.5 75
  113 2.6 26
  114 37 370
  115 99.99 999
  116 12.4 124
  125 0.21 2
  126 10.9 109
  127 36.6 366
  128 10.7 107
  129 2.09 21
  130 2.7 27
  132 2.4 24
  138 4.4 44
  139 0.1 1
  142 1.6 16
  143 2.4 24
  144 29.9 299
  145 1.5 15
  146 2.2 22
  153 8.3 83
  154 1.8 18
  155 0.07 1
  170 0.7 7
  171 21.3 213
  172 23 230
  173 0.24 2
  189 0.7 7
  190 17 170
  191 1.1 11
  192 0.6 6
//