MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000173
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000173
RECORD_TITLE: TRIACETYL-ETHANOLAMINE; FI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUKUSHIMA K, INST. FOR CHEMOBIODYNAMICS, CHIBA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TRIACETYL-ETHANOLAMINE
CH$NAME: 2-(DIACETYLAMINO)ETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H13NO4
CH$EXACT_MASS: 187.08446
CH$SMILES: CC(=O)OCCN(C(C)=O)C(C)=O
CH$IUPAC: InChI=1S/C8H13NO4/c1-6(10)9(7(2)11)4-5-13-8(3)12/h4-5H2,1-3H3
CH$LINK: INCHIKEY
SXAOEDBWUOCFAT-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:18472053
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: FI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002r-2900000000-059d59f552075c71b9a3
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
43 24.01 240
71 3.21 32
72 2.89 29
84 5.68 57
85 33.12 331
86 3.87 39
101 1.98 20
102 2.02 20
114 13.74 137
115 3.02 30
126 4.1 41
127 65.44 654
128 12.21 122
145 6.38 64
146 3.12 31
147 1.88 19
187 99.99 999
188 20.45 205
189 2.94 29
//
system version 2.2.6-SNAPSHOT