MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004940
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004940
RECORD_TITLE: N-METHYL-2-PYRROLIDONE; 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$NAME: N-METHYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO
CH$EXACT_MASS: 99.06841
CH$SMILES: CN(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
CH$LINK: INCHIKEY
SECXISVLQFMRJM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6020856
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0007-9000000000-f6b5ec5cf179d5b2b4e3
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
40 38.45 385
42 51.67 517
43 17.27 173
44 65.44 654
45 2.94 29
52 1.14 11
54 2.26 23
55 3.4 34
56 7.27 73
57 2.26 23
58 5.44 54
62 1.88 19
68 3.8 38
69 4.27 43
70 7.86 79
71 11.17 112
97 1.64 16
98 69.28 693
99 99.99 999
100 6.13 61
//