MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005468
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005468
RECORD_TITLE: (S)-N-TERT-BUTOXYCARBONYL-2-FORMYLPYRROLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA
CH$NAME: (S)-N-TERT-BUTOXYCARBONYL-2-FORMYLPYRROLIDINE
CH$NAME: (S)-N-(TERT-BUTOXYCARBONYL)PROLINAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H17NO3
CH$EXACT_MASS: 199.12084
CH$SMILES: O=CC([H])(C1)N(CC1)C(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3/t8-/m0/s1
CH$LINK: INCHIKEY
YDBPZCVWPFMBDH-QMMMGPOBSA-N
CH$LINK: COMPTOX
DTXSID20370439
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00xr-7900000000-fb08b3b7333478407d28
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
55 1.22 12
56 2.6 26
57 35.27 353
58 1.07 11
70 89.17 892
71 1.67 17
83 0.98 10
115 99.99 999
116 6.63 66
126 2.72 27
127 1.29 13
144 3.16 32
170 43.33 433
171 3.75 38
199 0.68 7
200 0.21 2
//
system version 2.2.6-SNAPSHOT