MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009495
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009495
RECORD_TITLE: ALPHA-PICOLINAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: ALPHA-PICOLINAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6N2O
CH$EXACT_MASS: 122.04801
CH$SMILES: NC(=O)c(c1)nccc1
CH$IUPAC: InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
CH$LINK: INCHIKEY
IBBMAWULFFBRKK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4061703
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0fb9-9100000000-589b1ae7c14f930b3d31
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
16 4.05 41
18 1.27 13
26 7 70
27 7.73 77
28 7.11 71
29 1.33 13
37 2.94 29
38 4.43 44
39 6.82 68
40 1.28 13
41 1.05 11
43 4.19 42
44 32.19 322
49 4.05 41
50 19.59 196
51 34.84 348
52 39.86 399
53 5.54 55
67 1.21 12
75 3.67 37
76 4.99 50
77 3.14 31
78 36.12 361
79 99.99 999
80 6.1 61
106 1.7 17
122 34.57 346
123 7.26 73
//