MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011919
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011919
RECORD_TITLE: GLYCINE ANHYDRIDE; 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$NAME: GLYCINE ANHYDRIDE
CH$NAME: 2,5-PIPERAZINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6N2O2
CH$EXACT_MASS: 114.04293
CH$SMILES: O=C(C1)NCC(=O)N1
CH$IUPAC: InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
CH$LINK: CAS
106-57-0
CH$LINK: NIKKAJI
J231.224G
CH$LINK: INCHIKEY
BXRNXXXXHLBUKK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8059342
AC$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 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03k9-9500000000-d86c0a0166537ecbf0f6
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
28 2.13 21
29 5.8 58
30 38.76 388
42 8.42 84
43 33.22 332
44 1.26 13
58 3.73 37
59 2.37 24
71 58.46 585
72 2.46 25
85 1.39 14
86 10.49 105
114 99.99 999
115 8.22 82
//
system version 2.2.6-SNAPSHOT