MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009559
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009559
RECORD_TITLE: DL-LEUCYLGLYCYLGLYCINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: DL-LEUCYLGLYCYLGLYCINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H19N3O4
CH$EXACT_MASS: 245.13756
CH$SMILES: CC(C)CC(N)C(=O)NCC(=O)NCC(O)=O
CH$IUPAC: InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)
CH$LINK: INCHIKEY
VWHGTYCRDRBSFI-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 36 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-9000000000-b2f0b0f02803a9a6e230
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
18 1.37 14
27 1.78 18
28 6.73 67
29 2.19 22
30 28.64 286
41 4.39 44
42 3.48 35
43 10.36 104
44 19.43 194
55 1.8 18
56 3.33 33
57 2.05 21
69 1 10
70 2.89 29
72 1.02 10
76 1.61 16
84 2.5 25
85 3.98 40
86 99.99 999
87 5.99 60
113 1.42 14
114 5.09 51
171 1.4 14
246 3.33 33
//
system version 2.2.6-SNAPSHOT