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. Author manuscript; available in PMC: 2016 May 1.
Published in final edited form as: J Am Soc Mass Spectrom. 2015 Feb 5;26(5):752–761. doi: 10.1007/s13361-014-1074-x

Table II.

Comparison of substance P m/z-values measured via QqQ EMS EID and FT ICR EID.

measured m/z-values
Fragment Type via FT ICR EID (S/N)1 via QqQ EMS EID Δm/z
(ICR – EMS)
a1+ 129.1133 (373) (2)
b1+ 157.1082 (172) (2)
a2+ 226.1661 (64) 226.2 −0.1
c42+ 248.6713 (25) (3)
b2+ 254.1611 (700) 253.8 0.4
c2+ 271.1877 (83) 271.1 0.1
c52+ 312.7006 (35) (3)
a3+ 354.2614 (16) 354.0 0.3
c62+ 376.7300 (5) (3)
b3+ 382.2563 (51) 381.8 0.4
[M+2H]3+•– CH2=CHSCH3 –CH2=C(CH3)2 406.2205 (79) 406.2 0.0
[M+2H]3+•– CH2=CHSCH3 – NH3 419.2320 (284) 419.1 0.1
[M+2H]3+•–CH2=CHSCH3 424.9080 (805) 424.8 0.1
a72+ 427.7539 (65) 427.9 −0.2
b72+ 441.7513 (20) (3)
[M+2H]3+•– NH3 443.9054 (150) 443.6 0.3
[M+2H]3+• 449.5811 (237) 449.7 −0.1
a4+ 451.3140 (11) (3)
y4+ 466.2496 (7) (3)
b4+ 479.3099 (9) (3)
c4+ 496.3358 (52) 496.2 0.2
a82+ 501.2880 (55) 501.6 −0.3
b82+ 515.2853 (39) 515.0 0.3
b92+ 543.7963 (49) 543.5 0.3
a5+ 579.3721 (6) 579.2 0.2
a102+ 586.3394 (9) 586.6 −0.2
b102+ 600.3374 (122) 600.4 −0.1
b5+ 607.3676 (28) 607.3 0.1
x102+ 609.8148 (37) 609.5 0.3
y5+ 613.3174 (5) (3)
c5+ 624.3944 (95) 624.4 0.0
[M+2H]2+ 674.3715 (11876) 674.5 −0.2
a6+ 707.4282 (6) 707.3 0.1
b6+ 735.4276 (17) 735.3 0.2
c6+ 752.4538 (44) 752.5 −0.1
a7+ 854.5015 (13) 854.6 −0.1
b7+ 882.4966 (11) 882.9 −0.4
c7+ 899.5238 (49) 899.4 0.1
y8+ 966.4880 (41) 966.5 0.0
c8+ 1046.5914 (21) 1046.3 0.3
z9+• 1078.5631 (33) 1078.9 −0.3
y9+ 1094.5852 (42) (3)
c9+ 1103.6124 (17) 1103.6 0.0
y10+ 1191.6342 (6) 1191.2 0.4
c10+ 1216.7008 (25) 1217.0 −0.3
[M+2H]+• 1348.7453 (15) 1348.5 0.2
1

Data taken from Fung et al.[12].

2

value below scanned m/z-range.

3

signal not detected.