MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002953
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002953
RECORD_TITLE: HEXAMETHYLENE IMINE; 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$NAME: HEXAMETHYLENE IMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13N
CH$EXACT_MASS: 99.10480
CH$SMILES: C(C1)CCNCC1
CH$IUPAC: InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
CH$LINK: INCHIKEY
ZSIQJIWKELUFRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1026879
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: splash10-0006-9000000000-18caed97fdaec438d473
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 6.84 68
26 2.76 28
27 21.67 217
28 37.42 374
29 14.82 148
30 58.95 590
39 22.87 229
40 3.88 39
41 38 380
42 34.88 349
43 99.99 999
44 36.3 363
53 2.36 24
54 2.97 30
55 9.54 95
56 56.1 561
57 44.96 450
68 5.38 54
69 2.7 27
70 92.28 923
71 8 80
84 10.14 101
98 16.89 169
99 45.06 451
100 8.14 81
//
system version 2.2.8-SNAPSHOT