MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000293
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000293
RECORD_TITLE: N-ACETYL-GLYCYL-GLYCINE METHYL 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$NAME: N-ACETYL-GLYCYL-GLYCINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12N2O4
CH$EXACT_MASS: 188.07971
CH$SMILES: COC(=O)CNC(=O)CNC(C)=O
CH$IUPAC: InChI=1S/C7H12N2O4/c1-5(10)8-3-6(11)9-4-7(12)13-2/h3-4H2,1-2H3,(H,8,10)(H,9,11)
CH$LINK: INCHIKEY
JSBPKTULFDBSFS-UHFFFAOYSA-N
AC$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: splash10-001i-9100000000-c51e30657fc24ed7bdd4
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 12.4 124
28 10.2 102
29 3.7 37
30 99.99 999
31 11.6 116
32 1.6 16
42 4.9 49
43 3.56 36
44 3.1 31
45 8.5 85
56 6.7 67
57 0.15 2
58 3.1 31
59 1.7 17
72 23.5 235
73 7.93 79
74 3.4 34
85 1.7 17
88 5.7 57
90 0.32 3
100 18.8 188
101 1.1 11
129 2.8 28
158 0.11 1
188 1 10
189 1 10
//