MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011111
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011111
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$LINK: INCHIKEY
BXRNXXXXHLBUKK-UHFFFAOYSA-N
CH$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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01u3-9200000000-8826cd1586bbe0ecaf7b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
14 3.72 37
15 2.9 29
26 1.11 11
27 10.67 107
28 91.29 913
29 46.44 464
30 99.99 999
31 2.07 21
40 2.22 22
41 3.08 31
42 38.46 385
43 40.21 402
44 3.01 30
54 1.73 17
55 2.05 21
56 7.07 71
57 2.28 23
58 3.96 40
59 2.27 23
71 43.73 437
72 2.4 24
85 1.92 19
86 8.12 81
114 87.9 879
115 6.97 70
//
system version 2.2.6-SNAPSHOT