MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003883
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003883
RECORD_TITLE: N-METHYL 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$NAME: N-METHYL CAPROLACTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H13NO
CH$EXACT_MASS: 127.09971
CH$SMILES: CN(C1)C(=O)CCCC1
CH$IUPAC: InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3
CH$LINK: INCHIKEY
ZWXPDGCFMMFNRW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3074656
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: splash10-0006-9100000000-aeeaebe83cb8559f6ea2
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
27 10 100
42 24.5 245
43 23.5 235
44 99.99 999
55 29 290
56 14.5 145
70 19 190
127 44 440
//