MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000295
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000295
RECORD_TITLE: N-ACETYL-GLYCYL-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$NAME: N-ACETYL-GLYCYL-GLYCYL-GLYCINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H15N3O5
CH$EXACT_MASS: 245.10117
CH$SMILES: COC(=O)CNC(=O)CNC(=O)CNC(C)=O
CH$IUPAC: InChI=1S/C9H15N3O5/c1-6(13)10-3-7(14)11-4-8(15)12-5-9(16)17-2/h3-5H2,1-2H3,(H,10,13)(H,11,14)(H,12,15)
CH$LINK: INCHIKEY
RBKYCFQDIAZTQJ-UHFFFAOYSA-N
AC$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: splash10-0089-9300000000-e1fbf8a0f08ad24bbc28
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
14 1.2 12
15 10.8 108
27 1.5 15
28 2.02 20
29 4.6 46
30 99.99 999
31 6.5 65
32 0.17 2
41 1.8 18
42 6.1 61
43 29.2 292
44 0.85 9
45 5.7 57
55 1.7 17
56 9.9 99
57 0.18 2
58 2.6 26
59 2.9 29
60 3.8 38
71 0.49 5
72 29.6 296
73 31.7 317
74 2.3 23
85 0.47 5
87 1.7 17
88 6.7 67
89 1.3 13
90 0.65 7
99 1.9 19
100 40.5 405
101 2.4 24
103 0.16 2
113 9.3 93
114 2.2 22
115 1.4 14
129 0.6 6
130 27.3 273
131 5.9 59
141 4.2 42
146 0.25 3
147 1.8 18
149 1.1 11
156 1.3 13
157 1.24 12
158 1.1 11
173 11.8 118
174 1.1 11
186 0.17 2
213 2.1 21
245 4.1 41
246 1.1 11
//