MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008194
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008194
RECORD_TITLE: GLYCINE ANHYDRIDE; 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$NAME: GLYCINE ANHYDRIDE
CH$NAME: CYCLOGLYCYLGLYCINE
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$SPLASH: splash10-03ec-9300000000-ee68a54cdab383a6aa11
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 2.59 26
26 1.01 10
27 9.65 97
29 40.51 405
30 90.54 905
31 1.92 19
42 2.25 23
43 34.69 347
44 35.86 359
45 2.33 23
55 1.85 19
56 5.83 58
57 1.67 17
58 4.28 43
59 2.49 25
71 45.59 456
72 2.24 22
85 1.28 13
86 8.37 84
114 99.99 999
115 6.42 64
//