MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006708
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006708
RECORD_TITLE: DELTA-VALEROLACTAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: DELTA-VALEROLACTAM
CH$NAME: 2-PIPERIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO
CH$EXACT_MASS: 99.06841
CH$SMILES: O=C(C1)NCCC1
CH$IUPAC: InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
CH$LINK: INCHIKEY
XUWHAWMETYGRKB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1060976
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0005-9000000000-1cbce19144683ef641e7
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
39 12 120
40 3 30
41 43 430
42 3.6 36
43 45 450
44 7 70
45 3 30
54 0.25 3
55 25 250
56 13 130
58 7.5 75
59 0.85 9
70 24 240
71 12 120
73 7.5 75
76 0.7 7
98 20 200
99 99.99 999
100 10 100
//
system version 2.2.6-SNAPSHOT