MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003884
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003884
RECORD_TITLE: CAPROLACTAM; 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$NAME: CAPROLACTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO
CH$EXACT_MASS: 113.08406
CH$SMILES: O=C(C1)NCCCC1
CH$IUPAC: InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
CH$LINK: INCHIKEY
JBKVHLHDHHXQEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4020240
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0bt9-9200000000-0d6a682cae74fe53b7aa
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
27 14.7 147
28 26.5 265
29 8.2 82
30 8.09 81
39 13.2 132
40 3.5 35
41 32.4 324
42 6.47 65
43 17.6 176
44 3.3 33
53 2.4 24
54 0.24 2
55 99.99 999
56 66.2 662
57 8.8 88
67 0.88 9
68 3.5 35
69 2.4 24
70 2.1 21
71 0.15 2
83 5.3 53
84 60.3 603
85 56.5 565
86 0.29 3
112 86.8 868
113 3.2 32
114 8.8 88
//