MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008601
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008601
RECORD_TITLE: DELTA-VALEROLACTAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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: HITACHI M-80B
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: splash10-0006-9000000000-a80b6b7cda436e704e7b
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
14 1.1 11
15 6.84 68
18 2.62 26
26 9.11 91
27 34.07 341
28 69.12 691
29 13.97 140
30 92.3 923
37 2.44 24
38 4.61 46
39 28.89 289
40 7.09 71
41 65.97 660
42 77.98 780
43 73.25 733
44 5.05 51
50 1.72 17
51 1.68 17
52 2.23 22
53 3.19 32
54 4.8 48
55 30.5 305
56 12.6 126
58 5.66 57
68 2.5 25
70 21.05 211
71 9.3 93
82 1.85 19
98 13.97 140
99 99.99 999
100 6.05 61
//