MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005524
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005524
RECORD_TITLE: N-ACETYLASPARTIC ACID DIETHYL ESTER; 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$NAME: N-ACETYLASPARTIC ACID DIETHYL ESTER
CH$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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-066r-0900000000-933f911e06c69ad1e78e
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
28 2.3 23
29 1.7 17
43 4.1 41
44 0.24 2
70 4.9 49
74 3.2 32
88 1.3 13
102 0.23 2
116 99.99 999
117 4.5 45
158 77.3 773
186 0.63 6
188 1.6 16
231 1.4 14
//
system version 2.2.8-SNAPSHOT