MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005475
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
//
system version 2.2.8-SNAPSHOT