MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000095
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000095
RECORD_TITLE: N-ACETYL-ASPARTIC ACID DIETHYLESTER; 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$NAME: N-ACETYL-ASPARTIC ACID DIETHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H17NO5
CH$EXACT_MASS: 231.11067
CH$SMILES: CCOC(=O)CC([H])(NC(C)=O)C(=O)OCC
CH$IUPAC: InChI=1S/C10H17NO5/c1-4-15-9(13)6-8(11-7(3)12)10(14)16-5-2/h8H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
CH$LINK: INCHIKEY
XQGDGRNHLJLQOV-QMMMGPOBSA-N
CH$LINK: COMPTOX
DTXSID40147807
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$SPLASH: splash10-066r-4900000000-282f05fbc89b8e675249
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 4.2 42
27 6.7 67
28 8.8 88
29 1.58 16
30 2.2 22
32 1.6 16
41 1.4 14
42 0.44 4
43 37.4 374
44 5.9 59
55 1.1 11
60 0.17 2
70 11.6 116
74 5.6 56
85 1.1 11
88 0.32 3
99 2.3 23
102 3.5 35
116 99.99 999
117 0.46 5
158 58.1 581
159 3.5 35
186 5.6 56
188 0.1 1
231 1.3 13
//
system version 2.2.4-SNAPSHOT